Accuracy

dimethyl sulfoxide   2126 Dimethyl sulfoxide

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    #  Species Formula
  2116 N,N-(Dimethyl)thiobenzamideC9H11NS
  2117 PhenothiazineC12H9NS
  2118 ThioureaCH4N2S
  2119 TetramethylthioureaC5H12N2S
  2120 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2121 Sulfur monoxide (triplet)OS
  2122 HOSHOS
  2123 Carbon oxysulfideCOS
  2124 Ethyne sulfenic acidC2H2OS
  2125 Thiolacetic acidC2H4OS
  2126 Dimethyl sulfoxide C2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS
  2128 S-EthylthioacetateC4H8OS
  2129 Diethyl sulfoxideC4H10OS
  2130 Benzenesulfenic acidC6H6OS
  2131 Dipropyl sulfoxideC6H14OS
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxideC8H20N2OS
  2136 Sulfur dioxide (Geo)O2S


ΔHf: -36.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 4.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 9.0 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Dimethyl sulfoxide
 H=-36.09 HR=C&P1970 I=9.01 IR=LLNBS82 D=3.96 DR=MCC1974
 
  S     0.00180881 +1  -0.02918757 +1   0.02721356 +1
  C    -1.37863346 +1   1.16770147 +1   0.00358074 +1
  C     1.38123120 +1   1.16895283 +1   0.00404333 +1
  O     0.00182800 +1  -0.62813319 +1   1.38227227 +1
  H    -2.32954490 +1   0.62511347 +1  -0.01602516 +1
  H     2.33252851 +1   0.62698354 +1  -0.01548393 +1
  H    -1.40063886 +1   1.80172704 +1   0.89441250 +1
  H    -1.33281729 +1   1.80960899 +1  -0.87631595 +1
  H     1.33504315 +1   1.81096305 +1  -0.87561039 +1
  H     1.40259595 +1   1.80277850 +1   0.89503958 +1