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

carbon oxysulfide   2124 Carbon oxysulfide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2114 4-MethylthiazoleC4H5NS
  2115 BenzothiazoleC7H5NS
  2116 BenzenecarbothioamideC7H8NS
  2117 N,N-(Dimethyl)thiobenzamideC9H11NS
  2118 PhenothiazineC12H9NS
  2119 ThioureaCH4N2S
  2120 TetramethylthioureaC5H12N2S
  2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2122 Sulfur monoxide (triplet)OS
  2123 HOSHOS
  2124 Carbon oxysulfide COS
  2125 Ethyne sulfenic acidC2H2OS
  2126 Thiolacetic acidC2H4OS
  2127 Dimethyl sulfoxideC2H6OS
  2128 Dimethyl sulfoxide (Geo)C2H6OS
  2129 S-EthylthioacetateC4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acidC6H6OS
  2132 Dipropyl sulfoxideC6H14OS
  2133 PhenoxathiinC12H8OS
  2134 Diphenyl sulfoxideC12H10OS


ΔHf: -33.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.7 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 11.2 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.
  
 PM7
Carbon oxysulfide
 D=0.71 H=-33.85 HR=C&P1970 I=11.2 IR=LLNBS82 DR=MCC1963
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54337583 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.16061789 +1  180.0000000 +1    0.0000000 +0     2     1     0