Accuracy

diisobutyl sulfone   2156 Diisobutyl sulfone

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    #  Species Formula
  2146 Methyl n-butyl sulfoneC5H12O2S
  2147 Methyl-t-butyl sulfoneC5H12O2S
  2148 Di-n-propyl sulfoneC6H14O2S
  2149 Ethyl-t-butyl sulfoneC6H14O2S
  2150 Diethoxy ethylthiomethaneC7H16O2S
  2151 Benzyl methyl sulfoneC8H10O2S
  2152 p-Tolyl methyl sulfoneC8H10O2S
  2153 Di-i-butyl sulfoneC8H18O2S
  2154 Di-n-butyl sulfoneC8H18O2S
  2155 Di-tert-butyl sulfoneC8H18O2S
  2156 Diisobutyl sulfone C8H18O2S
  2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2158 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2159 2-Butenyl p-tolyl sulfoneC11H14O2S
  2160 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2161 3-Butenyl p-tolyl sulfoneC11H14O2S
  2162 Diphenyl sulfoneC12H10O2S
  2163 CysteineC3H7NO2S
  2164 MethionineC5H11NO2S
  2165 Sulfur trioxide (Geo)O3S
  2166 Sulfur trioxideO3S


ΔHf: -128.0 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
Diisobutyl sulfone
 H=-128.02 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53144272 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54144416 +1  111.3867236 +1    0.0000000 +0     2     1     0
  S     1.79857676 +1  112.4447917 +1  -76.1536487 +1     3     2     1
  C     1.79983785 +1  103.2298425 +1 -173.4608161 +1     4     3     2
  C     1.54037924 +1  112.6415422 +1  173.3198533 +1     5     4     3
  C     1.53147241 +1  111.3305706 +1   76.4832167 +1     6     5     4
  C     1.53699602 +1  109.2482823 +1  121.1835404 +1     6     5     7
  O     1.45009817 +1  108.2537788 +1 -114.5691177 +1     4     3     5
  O     1.44920613 +1  107.8482002 +1 -131.4770130 +1     4     3     9
  C     1.53670613 +1  109.6098454 +1  121.0043375 +1     2     1     3
  H     1.09417244 +1  111.9406531 +1  -64.1520714 +1     1     2     3
  H     1.10144703 +1  112.1311858 +1  120.2152965 +1     1     2    12
  H     1.09490687 +1  111.1155394 +1  119.5055062 +1     1     2    13
  H     1.12188526 +1  108.9788402 +1  117.9236924 +1     2     1    11
  H     1.10554684 +1  109.0458341 +1 -121.6828338 +1     3     2     4
  H     1.10527108 +1  109.1924647 +1 -115.6710144 +1     3     2    16
  H     1.10526814 +1  110.0180683 +1  122.1323216 +1     5     4     6
  H     1.10535377 +1  109.4194290 +1  116.3742325 +1     5     4    18
  H     1.12187201 +1  109.7293212 +1  118.1510268 +1     6     5     8
  H     1.09428747 +1  111.9494811 +1   64.3705795 +1     7     6     5
  H     1.10136849 +1  112.1465228 +1 -120.2338288 +1     7     6    21
  H     1.09507538 +1  111.1164605 +1 -119.5047518 +1     7     6    22
  H     1.09459215 +1  111.6231878 +1   61.7295384 +1     8     6     5
  H     1.09439425 +1  111.6684947 +1 -120.9115281 +1     8     6    24
  H     1.09590247 +1  110.9005516 +1 -119.5905654 +1     8     6    25
  H     1.09466082 +1  111.6187982 +1  175.5994237 +1    11     2     1
  H     1.09436677 +1  111.6885096 +1  120.9340642 +1    11     2    27
  H     1.09593781 +1  110.9073085 +1  119.5970399 +1    11     2    28