Accuracy

triphenyl phenylethynyl tin   5507 Triphenyl phenylethynyl tin

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  5497 Trimethyltin hydrideC3H10Sn
  5498 Diethyltin dihydrideC4H12Sn
  5499 Tetramethyltin (Geo)C4H12Sn
  5500 TetramethyltinC4H12Sn
  5501 EthyltrimethyltinC5H14Sn
  5502 PropyltrimethyltinC6H16Sn
  5503 t-ButyltrimethyltinC7H18Sn
  5504 TetraethyltinC8H20Sn
  5505 PhenyltrimethylstannaneC9H14Sn
  5506 TetraphenyltinC24H20Sn
  5507 Triphenyl phenylethynyl tin C26H20Sn
  5508 DimethylaminetrimethyltinC5H15NSn
  5509 Sn(Et)3(NEt2)C10H25NSn
  5510 Sn(IV)N4C (WAYYOK) (Geo)C12H20N4Sn
  5511 Sn(IV)N4C (WAYYOK)C12H20N4Sn
  5512 Sn(II)N4 (VURFUJ) (Geo)C22H22N4Sn
  5513 Sn(II)N4 (VURFUJ)C22H22N4Sn
  5514 Sn(IV)(En)3C6H24N6Sn
  5515 Sn(IV)(En)3 (Geo)C6H24N6Sn
  5516 Tin oxide (Geo)OSn
  5517 Tin oxideOSn


ΔHf: 176.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PULAY PM7
Triphenyl phenylethynyl tin
 H=176.1 HR=NIST
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     3.25430045 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.13659826 +1  109.6569402 +1    0.0000000 +0     1     2     0
  C     1.40839702 +1  179.8160644 +1   93.7388811 +1     2     1     3
  C     2.13581543 +1  109.0516880 +1 -120.3009794 +1     1     3     2
  C     2.13580915 +1  109.5197856 +1 -120.1672125 +1     1     3     5
  C     1.39582385 +1  120.7770709 +1   81.4898934 +1     6     1     3
  C     1.39556527 +1  120.9387767 +1 -179.6248718 +1     7     6     1
  C     1.39265324 +1  120.1213575 +1   -0.0328749 +1     8     7     6
  C     1.39275040 +1  119.4587561 +1   -0.0891562 +1     9     8     7
  C     1.39606001 +1  120.8027807 +1  -98.3325062 +1     6     1     3
  C     1.39582722 +1  120.8380116 +1  134.8027547 +1     3     1     5
  C     1.39549459 +1  120.9475553 +1 -179.6834003 +1    12     3     1
  C     1.39271225 +1  120.1130754 +1    0.0019542 +1    13    12     3
  C     1.39265911 +1  119.4679367 +1   -0.0124518 +1    14    13    12
  C     1.39597259 +1  120.7475122 +1  -44.9058334 +1     3     1     5
  C     1.40096761 +1  120.1584126 +1 -131.9761585 +1     4     2    11
  C     1.39156038 +1  119.9289146 +1 -179.9797109 +1    17     4     2
  C     1.39430671 +1  120.1300663 +1    0.0238393 +1    18    17     4
  C     1.39424912 +1  120.0855539 +1   -0.0047420 +1    19    18    17
  C     1.40116205 +1  120.0431508 +1 -179.9598620 +1     4     2    17
  C     1.39608511 +1  120.5984659 +1  -19.7066164 +1     5     1     3
  C     1.39524505 +1  120.9626094 +1 -179.6693198 +1    22     5     1
  C     1.39274303 +1  120.1070304 +1    0.0513993 +1    23    22     5
  C     1.39265624 +1  119.4572945 +1   -0.0613418 +1    24    23    22
  C     1.39572297 +1  120.9879854 +1  160.6087540 +1     5     1     3
  C     2.03959963 +1  109.6699598 +1 -104.9668241 +1     1     3    12
  H     1.09110895 +1  121.2371130 +1    0.5794145 +1     7     6     1
  H     1.08678617 +1  119.9878881 +1 -179.9805127 +1     8     7     6
  H     1.08665555 +1  120.2790068 +1  179.9901473 +1     9     8     7
  H     1.08677283 +1  119.8623539 +1 -179.8961772 +1    10     9     8
  H     1.09151464 +1  121.1876693 +1   -0.4956728 +1    11     6     1
  H     1.09148172 +1  121.1652731 +1    0.1937277 +1    12     3     1
  H     1.08686917 +1  119.9956011 +1 -179.9961987 +1    13    12     3
  H     1.08667452 +1  120.2691839 +1 -179.9942385 +1    14    13    12
  H     1.08677129 +1  119.8843237 +1 -179.9707331 +1    15    14    13
  H     1.09106602 +1  121.2446618 +1   -0.3905584 +1    16     3     1
  H     1.08876402 +1  119.6569356 +1    0.0280130 +1    17     4     2
  H     1.08894369 +1  119.8973514 +1 -179.9927308 +1    18    17     4
  H     1.08839690 +1  119.9590605 +1  179.9872025 +1    19    18    17
  H     1.08884244 +1  119.9709561 +1  179.9725653 +1    20    19    18
  H     1.08850232 +1  119.6801036 +1   -0.0129810 +1    21     4     2
  H     1.09157244 +1  121.1879936 +1    0.4642921 +1    22     5     1
  H     1.08671078 +1  120.0107830 +1 -179.9527076 +1    23    22     5
  H     1.08661285 +1  120.2885717 +1  179.9655783 +1    24    23    22
  H     1.08684082 +1  119.8685746 +1 -179.9803466 +1    25    24    23
  H     1.09107928 +1  121.2263580 +1   -0.4623444 +1    26     5     1