Accuracy

1-methyl-4-(1-methyl-ethenylsulfonyl) benzene   2158 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene

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    #  Species Formula
  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 sulfoneC8H18O2S
  2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2158 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene C10H12O2S
  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
  2167 HOSO2(-)HO3S
  2168 H2SO3H2O3S


ΔHf: -47.0 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
1-Methyl-4-(1-methyl-ethenylsulfonyl) benzene
 H=-47 HR=NIST
  C     0.03783480 +1   0.06633733 +1  -0.01397504 +1
  C     1.42787353 +1   0.13466080 +1  -0.03227783 +1
  C     2.14769509 +1   0.12638230 +1   1.16713821 +1
  C     1.46259971 +1   0.04978070 +1   2.38250039 +1
  C     0.07127482 +1  -0.01985354 +1   2.39761171 +1
  C    -0.64098058 +1  -0.00034704 +1   1.20111183 +1
  C     3.63633867 +1   0.17746370 +1   1.13801244 +1
  S    -2.40403161 +1  -0.08074129 +1   1.22439294 +1
  O    -2.84634080 +1  -0.48263930 +1  -0.09655669 +1
  O    -2.79879074 +1  -0.82720472 +1   2.40322628 +1
  C    -2.89218977 +1   1.60939011 +1   1.47555514 +1
  C    -3.35535284 +1   2.01661183 +1   2.65505841 +1
  H    -3.47656359 +1   1.37490372 +1   3.52353063 +1
  H    -0.51034322 +1   0.05093096 +1  -0.96340927 +1
  H     1.95649846 +1   0.18557056 +1  -0.98089330 +1
  H     2.01452316 +1   0.03608067 +1   3.31925347 +1
  H    -0.44738410 +1  -0.10364750 +1   3.35886482 +1
  H     4.00679033 +1   0.98234878 +1   0.48660115 +1
  H     4.05434651 +1  -0.76633391 +1   0.75162583 +1
  H     4.08009434 +1   0.33871806 +1   2.12964775 +1
  C    -2.75717068 +1   2.50429746 +1   0.29810889 +1
  H    -3.66518289 +1   3.03368787 +1   2.85371125 +1
  H    -3.30155366 +1   2.11192898 +1  -0.58154769 +1
  H    -1.70876799 +1   2.64130429 +1  -0.00915593 +1
  H    -3.16023822 +1   3.50980738 +1   0.48670887 +1