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

iodomethyl methyl sulfide   5879 Iodomethyl methyl sulfide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5869 Sodium iodide (Geo)NaI
  5870 Sodium iodideNaI
  5871 Aluminum iodideAlI
  5872 Al(III)C3I(-) (MAIMAL) (Geo)C3H9AlI
  5873 Al(III)C3I(-) (MAIMAL)C3H9AlI
  5874 IodosilaneH3SiI
  5875 Iodosilane (Geo)H3SiI
  5876 C3PI (DOQVEK) (Geo)C9H21PI
  5877 N2PI (CORGAS) (Geo)C10H20N2PI
  5878 N4PI (SACMUM) (Geo)C6H12N4O2PI
  5879 Iodomethyl methyl sulfide C2H5SI
  5880 Iodine chloride (Geo)ClI
  5881 Iodine chlorideClI
  5882 Iodine monochlorideClI
  5883 1,2-ChloroiodoethaneC2H4ClI
  5884 1-Chloro-4-iodobutadieneC4H4ClI
  5885 Potassium iodide (Geo)KI
  5886 Potassium iodideKI
  5887 K(+)(H2O)5.I (Geo)H10O5KI
  5888 K(+)(H2O)5.IH10O5KI
  5889 K(I)O5NI (DUGHOC) (Geo)C13H27NO5KI


ΔHf: 6.4 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
Iodomethyl methyl sulfide
 H=6.4 HR=NIST
  C     0.01847853 +1   0.01183631 +1  -0.03019148 +1
  H     1.11666267 +1   0.04040761 +1  -0.06155576 +1
  H    -0.36876896 +1   1.04008410 +1  -0.02202115 +1
  S    -0.62346468 +1  -0.99944215 +1   1.33436555 +1
  I    -0.69298116 +1  -0.97387561 +1  -1.79351753 +1
  H    -0.43791975 +1   0.93106229 +1   2.83687767 +1
  H     1.04859199 +1  -0.04260405 +1   2.85626238 +1
  C    -0.04365091 +1  -0.08907279 +1   2.79859382 +1
  H    -0.40871939 +1  -0.62096762 +1   3.68856473 +1