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

1,3-dithiolan-2-thione   2296 1,3-Dithiolan-2-thione

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2286 SiC2S2 (GUMZUJ)C8H10SiS2
  2287 SiO2S2N (EBUPIA) (Geo)C17H17NO4SiS2
  2288 SiO2S2N (EBUPIA)C17H17NO4SiS2
  2289 Si2C4S2 (CADLOI) (Geo)C4H12Si2S2
  2290 Si2C4S2 (CADLOI)C4H12Si2S2
  2291 Sulfur, trimer (open chain)S3
  2292 HS3HS3
  2293 Hydrogen trisulfideHS3
  2294 2,3,4-TrithiapentaneC2H6S3
  2295 1,3-Dithiol-2-thioneC3H2S3
  2296 1,3-Dithiolan-2-thione C3H4S3
  2297 TrimethylthioboraneH9BC3S3
  2298 TriethylthioboraneH15BC6S3
  2299 1,3-Benzodithiole-2-thioneC7H4S3
  2300 3H-1,2-Benzodithiole-3-thioneC7H4S3
  2301 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  2302 Tri-n-propylthioboraneH21BC9S3
  2303 TriphenylthioboraneH15BC18S3
  2304 Sulfur tetramerS4
  2305 Sulfur, tetramer (open chain)S4
  2306 Hydrogen tetrasulfideH2S4


ΔHf: 22.7 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 8.4 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
1,3-Dithiolan-2-thione
 HR=JANAF86 H=22.7 I=8.40 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.77064936 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84143931 +1   98.7241769 +1    0.0000000 +0     2     1     0
  C     1.51338353 +1  110.5303618 +1  -24.0560073 +1     3     2     1
  S     1.84142483 +1  110.5535858 +1   31.4384201 +1     4     3     2
  S     1.59431249 +1  123.5154408 +1 -172.4939239 +1     1     2     3
  H     1.10844641 +1  108.8485329 +1   99.0788575 +1     3     2     1
  H     1.10801569 +1  107.9295930 +1 -146.2766638 +1     3     2     1
  H     1.10795965 +1  111.5664042 +1  151.4580883 +1     4     3     2
  H     1.10836056 +1  111.7922576 +1  -89.9055650 +1     4     3     2