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(e)-1-methyl-4-(1-propenyl-sulfonyl)-benzene   2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzene

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    #  Species Formula
  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 sulfoneC8H18O2S
  2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzene C10H12O2S
  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
  2167 HOSO2(-)HO3S


ΔHf: -49.9 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
(E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzene
 H=-49.9 HR=NIST
  C    -0.07347472 +1   0.16654016 +1   0.20877529 +1
  C     1.26733740 +1   0.26518599 +1   0.56918191 +1
  C     2.09900759 +1   1.19250135 +1  -0.06724380 +1
  C     1.57836549 +1   2.01310167 +1  -1.07032821 +1
  C     0.23514644 +1   1.91330421 +1  -1.42728734 +1
  C    -0.59359825 +1   1.00224375 +1  -0.77774161 +1
  C     3.53235573 +1   1.29020929 +1   0.32725156 +1
  S    -2.30370217 +1   0.90263197 +1  -1.20835381 +1
  O    -2.46180481 +1   1.49283683 +1  -2.52645114 +1
  O    -2.74884996 +1  -0.44970324 +1  -0.93714975 +1
  C    -3.07233317 +1   1.97139660 +1  -0.05242425 +1
  C    -3.55876928 +1   3.16652467 +1  -0.39067379 +1
  C    -4.20712791 +1   4.08409561 +1   0.58456715 +1
  H    -0.70415161 +1  -0.58316525 +1   0.69939908 +1
  H     1.67204794 +1  -0.38332371 +1   1.34228053 +1
  H     2.22051099 +1   2.72767922 +1  -1.57860029 +1
  H    -0.15155513 +1   2.55002945 +1  -2.23150352 +1
  H     4.09949519 +1   1.99866885 +1  -0.29147390 +1
  H     4.03942740 +1   0.31654746 +1   0.24472278 +1
  H     3.63786692 +1   1.62058053 +1   1.37171676 +1
  H    -3.14214312 +1   1.57675764 +1   0.95816880 +1
  H    -3.50953791 +1   3.55559584 +1  -1.41785797 +1
  H    -4.38564247 +1   3.62241783 +1   1.56520041 +1
  H    -3.58560737 +1   4.97692885 +1   0.75691409 +1
  H    -5.18051814 +1   4.44084682 +1   0.21535650 +1