Accuracy

1,3-dithiolan-2-one   2265 1,3-Dithiolan-2-one

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    #  Species Formula
  2255 Ethyl tert-butyl disulfideC6H14S2
  2256 Isopropyl tert-butyl disulfideC7H16S2
  2257 Di-tert-butyl disulfideC8H18S2
  2258 DibutyldisulfideC8H18S2
  2259 Diphenyl disulfideC12H10S2
  2260 Diisopropyldithiocarbamic acidC7H15NS2
  2261 Dipropyldithiocarbamic acidC7H15NS2
  2262 S2(CN)2C2N2S2
  2263 ThiocyanogenC2N2S2
  2264 Bis-diethylamino disulfideC8H20N2S2
  2265 1,3-Dithiolan-2-one C3H4OS2
  2266 Li(I)O2S2 (YUBVUM) (Geo)H26LiC21NO2S2
  2267 Li(I)O2S2 (YUBVUM)H26LiC21NO2S2
  2268 Cys-cys (Geo)C6H12N2O3S2
  2269 CYS-CYSC6H12N2O3S2
  2270 Met-met (Geo)C10H20N2O3S2
  2271 Diphenyl disulfoneC12H10O4S2
  2272 FSSFF2S2
  2273 FSSF (Geo)F2S2
  2274 SSF2 (Geo)F2S2
  2275 SSF2F2S2


ΔHf: -30.1 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
1,3-Dithiolan-2-one
 HR=WHSMC03 H=-30.1
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.81900100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.83598607 +1   97.1669961 +1    0.0000000 +0     2     1     0
  C     1.51647030 +1  110.9404413 +1  -27.6491885 +1     3     2     1
  S     1.81965076 +1  112.7312956 +1    8.9114082 +1     1     2     3
  O     1.18564131 +1  123.6965014 +1  179.9391517 +1     1     2     5
  H     1.10909242 +1  109.0483872 +1  123.3736375 +1     3     2     4
  H     1.10900439 +1  107.9152760 +1  114.6747916 +1     3     2     7
  H     1.10901525 +1  111.1580582 +1  157.1020980 +1     4     3     2
  H     1.10929900 +1  111.6762999 +1  117.9481276 +1     4     3     9