PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

dipropyl sulfoxide   2132 Dipropyl sulfoxide

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    #  Species Formula
  2122 Sulfur monoxide (triplet)OS
  2123 HOSHOS
  2124 Carbon oxysulfideCOS
  2125 Ethyne sulfenic acidC2H2OS
  2126 Thiolacetic acidC2H4OS
  2127 Dimethyl sulfoxideC2H6OS
  2128 Dimethyl sulfoxide (Geo)C2H6OS
  2129 S-EthylthioacetateC4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acidC6H6OS
  2132 Dipropyl sulfoxide C6H14OS
  2133 PhenoxathiinC12H8OS
  2134 Diphenyl sulfoxideC12H10OS
  2135 ThioxanthoneC13H8OS
  2136 Bis-diethylamine sulfoxideC8H20N2OS
  2137 Sulfur dioxide (Geo)O2S
  2138 Sulfur dioxideO2S
  2139 S(OH)2H2O2S
  2140 Dimethyl sulfoneC2H6O2S
  2141 Dimethyl sulfone (Geo)C2H6O2S
  2142 Methylethyl sulfoneC3H8O2S


ΔHf: -60.9 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.
  
 PM7
Dipropyl sulfoxide
 H=-60.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53222269 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52549863 +1  110.2095343 +1    0.0000000 +0     2     1     0
  S     1.84748394 +1  110.2035348 +1 -179.6995710 +1     3     2     1
  C     1.84613311 +1   99.6506292 +1 -129.0518118 +1     4     3     2
  C     1.52581230 +1  110.1452838 +1  124.8422267 +1     5     4     3
  C     1.53205379 +1  110.2012140 +1 -179.5333534 +1     6     5     4
  O     1.48544944 +1  104.7912451 +1  122.6171278 +1     4     3     2
  H     1.09534557 +1  111.2086177 +1  179.7473322 +1     1     2     3
  H     1.09623475 +1  111.4290771 +1   60.0073828 +1     1     2     3
  H     1.09518798 +1  111.6459507 +1  -60.2413291 +1     1     2     3
  H     1.10953222 +1  109.1538007 +1   57.7131399 +1     2     1     9
  H     1.10784608 +1  109.2703122 +1  -57.7839543 +1     2     1     9
  H     1.10002541 +1  110.6010439 +1   55.8634083 +1     3     2     1
  H     1.10795024 +1  110.3799557 +1  -60.4963847 +1     3     2     1
  H     1.10026113 +1  112.1058027 +1    1.2851869 +1     5     4     3
  H     1.10786797 +1  108.0713843 +1 -114.3609674 +1     5     4     3
  H     1.10949049 +1  110.8787082 +1   59.5060143 +1     6     5     4
  H     1.10781616 +1  111.2284432 +1  -58.1926581 +1     6     5     4
  H     1.09544725 +1  111.2272169 +1 -179.5744637 +1     7     6     5
  H     1.09530553 +1  111.6517325 +1   60.4239416 +1     7     6     5
  H     1.09629455 +1  111.4520623 +1  -59.8232223 +1     7     6     5