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

ethyl tert-butyl disulfide   2256 Ethyl tert-butyl disulfide

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    #  Species Formula
  2246 2,3-DithiabutaneC2H6S2
  2247 CH3SCH2SHC2H6S2
  2248 2,3-Dithiabutane (Geo)C2H6S2
  2249 Ethanedithiol-1,2C2H6S2
  2250 2,3-Dithiabutane (Geo)C2H6S2
  2251 Propane-1,3-dithiolC3H8S2
  2252 (C2H5S)2C4H10S2
  2253 1,4-ButanedithiolC4H10S2
  2254 3,6-DithiaoctaneC6H14S2
  2255 Dipropyl disulfideC6H14S2
  2256 Ethyl tert-butyl disulfide C6H14S2
  2257 Isopropyl tert-butyl disulfideC7H16S2
  2258 Di-tert-butyl disulfideC8H18S2
  2259 DibutyldisulfideC8H18S2
  2260 Diphenyl disulfideC12H10S2
  2261 Diisopropyldithiocarbamic acidC7H15NS2
  2262 Dipropyldithiocarbamic acidC7H15NS2
  2263 S2(CN)2C2N2S2
  2264 ThiocyanogenC2N2S2
  2265 Bis-diethylamino disulfideC8H20N2S2
  2266 1,3-Dithiolan-2-oneC3H4OS2


ΔHf: -32.8 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
Ethyl tert-butyl disulfide
 H=-32.8 HR=NIST
  C    -0.00740894 +1   0.03712129 +1   0.01742882 +1
  C     1.39876087 +1  -0.29895291 +1   0.50187154 +1
  C    -0.13810220 +1   1.53378894 +1  -0.23613158 +1
  C    -0.34155500 +1  -0.75704798 +1  -1.24447237 +1
  S    -1.29824469 +1  -0.52565444 +1   1.25538101 +1
  S    -0.99195951 +1   0.31005247 +1   3.04063802 +1
  C     0.17822361 +1  -0.75960369 +1   3.97891995 +1
  C     0.40608064 +1  -0.13758366 +1   5.34540541 +1
  H     1.70425212 +1   0.30462104 +1   1.36546371 +1
  H     1.51243065 +1  -1.35607576 +1   0.77102367 +1
  H     2.13495441 +1  -0.09700984 +1  -0.28923251 +1
  H     0.10937211 +1   2.13393755 +1   0.64918741 +1
  H    -1.15015915 +1   1.81910997 +1  -0.55186210 +1
  H     0.54507682 +1   1.85614639 +1  -1.03325597 +1
  H    -1.35562454 +1  -0.55742388 +1  -1.61659900 +1
  H    -0.25159730 +1  -1.84134594 +1  -1.09602187 +1
  H     0.34635528 +1  -0.49247414 +1  -2.05913063 +1
  H    -0.24180196 +1  -1.77789768 +1   4.07575065 +1
  H     1.13041100 +1  -0.85577527 +1   3.42792274 +1
  H     0.85320595 +1   0.86420153 +1   5.28562250 +1
  H    -0.52164562 +1  -0.04997240 +1   5.92827543 +1
  H     1.09594454 +1  -0.75607083 +1   5.93812403 +1