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

benzyl methyl sulfone   2152 Benzyl methyl sulfone

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    #  Species Formula
  2142 Methylethyl sulfoneC3H8O2S
  2143 2,5-Dihydrothiophene sulfoneC4H6O2S
  2144 Divinyl sulfoneC4H6O2S
  2145 Diethyl sulfoneC4H10O2S
  2146 Methyl-i-propyl sulfoneC4H10O2S
  2147 Methyl n-butyl sulfoneC5H12O2S
  2148 Methyl-t-butyl sulfoneC5H12O2S
  2149 Di-n-propyl sulfoneC6H14O2S
  2150 Ethyl-t-butyl sulfoneC6H14O2S
  2151 Diethoxy ethylthiomethaneC7H16O2S
  2152 Benzyl methyl sulfone C8H10O2S
  2153 p-Tolyl methyl sulfoneC8H10O2S
  2154 Di-i-butyl sulfoneC8H18O2S
  2155 Di-n-butyl sulfoneC8H18O2S
  2156 Di-tert-butyl sulfoneC8H18O2S
  2157 Diisobutyl sulfoneC8H18O2S
  2158 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2159 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2160 2-Butenyl p-tolyl sulfoneC11H14O2S
  2161 2-Methyl-2-propenyl p-tolyl sulfoneC11H14O2S
  2162 3-Butenyl p-tolyl sulfoneC11H14O2S


ΔHf: -65.0 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
Benzyl methyl sulfone
 H=-65 HR=NIST
  O     0.03782096 +1  -0.06242366 +1  -0.04192249 +1
  S     0.88893267 +1   1.06356259 +1   0.26791029 +1
  O     0.33954059 +1   2.36733759 +1   0.56091925 +1
  C     2.08296902 +1   1.24658901 +1  -1.07818356 +1
  C     1.39398094 +1   1.66911736 +1  -2.33208323 +1
  C     1.24164060 +1   3.02691329 +1  -2.62580028 +1
  C     0.61582658 +1   3.41912145 +1  -3.80646959 +1
  C     0.13908478 +1   2.46019803 +1  -4.69861368 +1
  C     0.28198601 +1   1.10577038 +1  -4.40292738 +1
  C     0.90727153 +1   0.70884739 +1  -3.22324374 +1
  C     1.91271891 +1   0.59324368 +1   1.65557708 +1
  H     2.86120607 +1   1.98272645 +1  -0.79615160 +1
  H     2.62312882 +1   0.29215520 +1  -1.23544589 +1
  H     1.59348655 +1   3.78189276 +1  -1.92352864 +1
  H     0.49321673 +1   4.47725558 +1  -4.02889903 +1
  H    -0.34998392 +1   2.76837530 +1  -5.61983604 +1
  H    -0.10161940 +1   0.35545894 +1  -5.09137850 +1
  H     0.99745454 +1  -0.35128937 +1  -2.98903657 +1
  H     1.29394661 +1   0.42136822 +1   2.54842801 +1
  H     2.45811893 +1  -0.33847568 +1   1.47819148 +1
  H     2.63153033 +1   1.37212348 +1   1.92745693 +1