Accuracy

dipropyl disulfide   2254 Dipropyl disulfide

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    #  Species Formula
  2244 1,2-EthanedithiolC2H6S2
  2245 2,3-DithiabutaneC2H6S2
  2246 CH3SCH2SHC2H6S2
  2247 2,3-Dithiabutane (Geo)C2H6S2
  2248 Ethanedithiol-1,2C2H6S2
  2249 2,3-Dithiabutane (Geo)C2H6S2
  2250 Propane-1,3-dithiolC3H8S2
  2251 (C2H5S)2C4H10S2
  2252 1,4-ButanedithiolC4H10S2
  2253 3,6-DithiaoctaneC6H14S2
  2254 Dipropyl disulfide C6H14S2
  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


ΔHf: -28.0 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
Dipropyl disulfide
 H=-28.04 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53120346 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52696272 +1  109.8652118 +1    0.0000000 +0     2     1     0
  S     1.83912150 +1  108.4038033 +1  179.7904015 +1     3     2     1
  S     1.99496894 +1  108.5547093 +1 -177.4652813 +1     4     3     2
  C     1.83882440 +1  108.4863205 +1  -86.6890766 +1     5     4     3
  C     1.52715502 +1  108.4011469 +1 -176.4584881 +1     6     5     4
  C     1.53125433 +1  109.8020860 +1 -179.9196104 +1     7     6     5
  H     1.09573077 +1  111.6067720 +1   60.2872682 +1     1     2     3
  H     1.09589414 +1  111.5895520 +1 -120.4844517 +1     1     2     9
  H     1.09624604 +1  111.0258610 +1 -119.7447803 +1     1     2    10
  H     1.10925885 +1  109.4114787 +1 -122.2854817 +1     2     1     3
  H     1.10951660 +1  109.3618661 +1 -115.5174247 +1     2     1    12
  H     1.10413893 +1  110.6656618 +1  120.9703581 +1     3     2     4
  H     1.10552614 +1  110.6441002 +1  118.1921488 +1     3     2    14
  H     1.10417441 +1  110.1810140 +1 -121.2607584 +1     6     5     7
  H     1.10542252 +1  110.1340584 +1 -117.5725911 +1     6     5    16
  H     1.10910507 +1  111.1812490 +1  121.2143544 +1     7     6     8
  H     1.10944409 +1  111.0912669 +1  117.6520679 +1     7     6    18
  H     1.09586260 +1  111.6028504 +1  -59.9097973 +1     8     7     6
  H     1.09572403 +1  111.6165141 +1  120.5011724 +1     8     7    20
  H     1.09633205 +1  111.0375974 +1  119.7546597 +1     8     7    21