Accuracy

glutamic acid   1411 Glutamic acid

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

    

    #  Species Formula
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4
  1411 Glutamic acid C5H9NO4
  1412 4-NitrocatecholC6H5NO4
  1413 p-Nitrobenzoic acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 DinitromethaneCH2N2O4
  1417 m-DinitrobenzeneC6H4N2O4
  1418 o-DinitrobenzeneC6H4N2O4
  1419 p-DinitrobenzeneC6H4N2O4
  1420 2,4-DinitrotolueneC7H6N2O4
  1421 DinitrophenylmethaneC7H6N2O4


ΔHf: -189.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Glutamic acid
 HR=PW91D H=-189.7
  H     0.00233658 +1  -0.01184923 +1   0.15471110 +1
  N     1.00608708 +1  -0.09924459 +1   0.13268180 +1
  C     1.66751776 +1   1.11450111 +1  -0.35781429 +1
  C     1.29650547 +1   1.39054065 +1  -1.81346931 +1
  O     0.82869856 +1   0.62042882 +1  -2.60708902 +1
  C     3.19366505 +1   0.93197397 +1  -0.25696403 +1
  C     3.91893910 +1   2.27446213 +1  -0.32821142 +1
  C     5.39372953 +1   2.05045521 +1  -0.40508203 +1
  O     5.99661332 +1   1.05445089 +1  -0.70379846 +1
  O     6.05767615 +1   3.19294491 +1  -0.08202161 +1
  H     3.56376671 +1   0.24233318 +1  -1.04574706 +1
  H     3.66416727 +1   2.91853860 +1   0.54250812 +1
  H     3.59223569 +1   2.86623910 +1  -1.21760180 +1
  H     3.43160743 +1   0.41638084 +1   0.70159634 +1
  H     1.33778895 +1   1.98022950 +1   0.28072713 +1
  H     1.25140741 +1  -0.91906836 +1  -0.40482743 +1
  O     1.54441812 +1   2.68178247 +1  -2.14156990 +1
  H     1.32824192 +1   2.90914093 +1  -3.08025220 +1
  H     7.04107561 +1   3.10675543 +1  -0.12645367 +1