Accuracy

di-tert-butyl sulfone   2155 Di-tert-butyl sulfone

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    #  Species Formula
  2145 Methyl-i-propyl sulfoneC4H10O2S
  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 sulfone C8H18O2S
  2156 Diisobutyl sulfoneC8H18O2S
  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


ΔHf: -130.6 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
Di-tert-butyl sulfone
 H=-130.6 HR=NIST
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.45391503 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.45404854 +1  120.8016984 +1    0.0000000 +0     1     2     0
  C     1.84358035 +1  105.4588567 +1 -119.1591617 +1     1     2     3
  C     1.52715251 +1  111.1630572 +1 -177.5612109 +1     4     1     2
  C     1.52700964 +1  111.2856103 +1  123.3581883 +1     4     1     5
  C     1.53392021 +1  105.7317516 +1  118.3691633 +1     4     1     6
  C     1.84357215 +1  105.4190762 +1 -121.8672675 +1     1     2     4
  C     1.52695304 +1  111.2676091 +1   53.9989668 +1     8     1     2
  C     1.52726275 +1  111.1552362 +1  123.3752465 +1     8     1     9
  C     1.53378190 +1  105.7430237 +1  118.3072423 +1     8     1    10
  H     1.10155650 +1  112.1291466 +1  -50.5623973 +1     5     4     1
  H     1.09482070 +1  113.1747951 +1  122.5652221 +1     5     4    12
  H     1.09903651 +1  110.5839499 +1  119.1016939 +1     5     4    13
  H     1.10146995 +1  112.1318862 +1   50.5523961 +1     6     4     1
  H     1.09483879 +1  113.1841630 +1 -122.6217780 +1     6     4    15
  H     1.09916490 +1  110.5659216 +1 -119.0414519 +1     6     4    16
  H     1.10076911 +1  112.2635674 +1   60.4587638 +1     7     4     1
  H     1.10082465 +1  112.2545251 +1 -120.9511927 +1     7     4    18
  H     1.09631385 +1  111.1092920 +1 -119.5172369 +1     7     4    19
  H     1.10150362 +1  112.1322176 +1  -50.3940906 +1     9     8     1
  H     1.09485236 +1  113.1888488 +1  122.6335798 +1     9     8    21
  H     1.09915334 +1  110.5528702 +1  119.0480428 +1     9     8    22
  H     1.10152186 +1  112.1348219 +1   50.4661722 +1    10     8     1
  H     1.09486385 +1  113.1757198 +1 -122.5996448 +1    10     8    24
  H     1.09904923 +1  110.5740517 +1 -119.0975572 +1    10     8    25
  H     1.10077678 +1  112.2606705 +1  -60.4161069 +1    11     8     1
  H     1.10084512 +1  112.2518729 +1  120.9473763 +1    11     8    27
  H     1.09630608 +1  111.1251216 +1  119.5212796 +1    11     8    28