Accuracy

bis-diethylamine sulfoxide   2135 Bis-diethylamine sulfoxide

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    #  Species Formula
  2125 Thiolacetic acidC2H4OS
  2126 Dimethyl sulfoxideC2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS
  2128 S-EthylthioacetateC4H8OS
  2129 Diethyl sulfoxideC4H10OS
  2130 Benzenesulfenic acidC6H6OS
  2131 Dipropyl sulfoxideC6H14OS
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxide C8H20N2OS
  2136 Sulfur dioxide (Geo)O2S
  2137 Sulfur dioxideO2S
  2138 S(OH)2H2O2S
  2139 Dimethyl sulfoneC2H6O2S
  2140 Dimethyl sulfone (Geo)C2H6O2S
  2141 Methylethyl sulfoneC3H8O2S
  2142 2,5-Dihydrothiophene sulfoneC4H6O2S
  2143 Divinyl sulfoneC4H6O2S
  2144 Diethyl sulfoneC4H10O2S
  2145 Methyl-i-propyl sulfoneC4H10O2S


ΔHf: -66.2 kcal/mol,     REF: Reference faulty
  
 PM7
Bis-diethylamine sulfoxide
 H=-66.2 HR=CP1962
  C    -0.33605252 +1   0.47905112 +1   0.36976111 +1
  C     1.10468369 +1  -0.00045888 +1   0.13472283 +1
  N     2.12548199 +1   1.04967013 +1   0.02729681 +1
  S     1.89508722 +1   2.16411460 +1  -1.32329967 +1
  O     1.51023082 +1   3.48070235 +1  -0.78007637 +1
  N     3.51220049 +1   2.42739874 +1  -1.95925506 +1
  C     4.37773192 +1   1.27606787 +1  -2.22020347 +1
  C     5.22543546 +1   0.77108991 +1  -1.04422589 +1
  H     5.05632417 +1   1.55402790 +1  -3.06407262 +1
  H     3.74956219 +1   0.43741515 +1  -2.60225987 +1
  H     1.39830858 +1  -0.69256817 +1   0.95904314 +1
  H     1.14222242 +1  -0.61376739 +1  -0.79685991 +1
  C     2.67964723 +1   1.51512259 +1   1.30344286 +1
  C     1.78520152 +1   2.44528990 +1   2.13278888 +1
  H     3.64353468 +1   2.03481342 +1   1.08516795 +1
  H     2.95103263 +1   0.62284690 +1   1.91571944 +1
  C     4.18422658 +1   3.71248431 +1  -1.74110959 +1
  C     4.58510587 +1   4.04471998 +1  -0.29712294 +1
  H     3.49355320 +1   4.51330910 +1  -2.11059510 +1
  H     5.08721430 +1   3.75104931 +1  -2.39321677 +1
  H    -0.76698807 +1   0.95444706 +1  -0.51699298 +1
  H    -0.38836109 +1   1.21223518 +1   1.18376364 +1
  H    -0.98586698 +1  -0.35894724 +1   0.63951465 +1
  H     4.59494151 +1   0.39868318 +1  -0.22773010 +1
  H     5.86753591 +1   1.55972484 +1  -0.64022505 +1
  H     5.87027786 +1  -0.05510979 +1  -1.35856255 +1
  H     0.89986828 +1   1.92864221 +1   2.51253905 +1
  H     1.43574887 +1   3.30446189 +1   1.53845046 +1
  H     2.33398417 +1   2.84713010 +1   2.99046214 +1
  H     5.21373041 +1   3.27017338 +1   0.14823375 +1
  H     3.69529202 +1   4.17396621 +1   0.33673412 +1
  H     5.13872075 +1   4.98924782 +1  -0.26069161 +1