Accuracy

di-i-butyl sulfone   2153 Di-i-butyl sulfone

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    #  Species Formula
  2143 Divinyl sulfoneC4H6O2S
  2144 Diethyl sulfoneC4H10O2S
  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 sulfone C8H18O2S
  2154 Di-n-butyl sulfoneC8H18O2S
  2155 Di-tert-butyl sulfoneC8H18O2S
  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


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
Di-i-butyl sulfone
 H=-128.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53051272 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53808526 +1  111.5593557 +1    0.0000000 +0     2     1     0
  S     1.82421725 +1  109.4830903 +1  164.1802698 +1     3     2     1
  C     1.82369123 +1  105.9058407 +1 -154.3127596 +1     4     3     2
  C     1.53738427 +1  109.7110550 +1  155.3826851 +1     5     4     3
  C     1.53088295 +1  111.5119133 +1 -163.3680067 +1     6     5     4
  C     1.52435658 +1  110.6811249 +1  122.8152213 +1     5     4     6
  C     1.52443991 +1  110.8615622 +1  122.3070367 +1     3     2     4
  O     1.45260825 +1  106.2781864 +1  112.6580501 +1     4     3     5
  O     1.44876180 +1  108.6428964 +1  130.6466154 +1     4     3    10
  H     1.09537438 +1  111.6254439 +1  -59.8693558 +1     1     2     3
  H     1.09483488 +1  111.9730119 +1  120.8491675 +1     1     2    12
  H     1.09649134 +1  110.8489757 +1  119.6929189 +1     1     2    13
  H     1.11438345 +1  108.5711473 +1  122.5437929 +1     2     1     3
  H     1.10879803 +1  109.6342591 +1  114.7568888 +1     2     1    15
  H     1.11475057 +1  108.1146789 +1  119.8127427 +1     3     2     9
  H     1.11568848 +1  108.1169012 +1  119.6472483 +1     5     4     8
  H     1.11442182 +1  110.9304436 +1  121.0923834 +1     6     5     7
  H     1.10871393 +1  110.4849509 +1  116.6721780 +1     6     5    19
  H     1.09477233 +1  111.9557168 +1  -60.7385522 +1     7     6     5
  H     1.09537586 +1  111.5638692 +1  120.8034967 +1     7     6    21
  H     1.09634753 +1  110.8722443 +1  119.4709018 +1     7     6    22
  H     1.10265512 +1  112.1747839 +1  -54.1309110 +1     8     5     4
  H     1.09528337 +1  113.0989326 +1  121.5644810 +1     8     5    24
  H     1.09862646 +1  110.9399628 +1  119.5939425 +1     8     5    25
  H     1.09543663 +1  113.1556777 +1  172.3909486 +1     9     3     2
  H     1.10288556 +1  112.0827670 +1  121.3378424 +1     9     3    27
  H     1.09848183 +1  110.9536038 +1  118.8317010 +1     9     3    28