N-{(2R)-2-Cyano-1-[5-Cyano-2-(Trifluoromethyl)Phenoxy]-2-Propanyl}-4-[(Trifluoromethyl)Sulfanyl]Benzamide

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Formula C20H13F6N3O2S
IUPAC Name n-[(1r)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methyl-ethyl]-4-(trifluoromethylsulfanyl)benzamide
Molecular Mass 473.392 g·mol−1
Heat of Formation -1186.9 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 502.31 Å 3
Surface Area 401.37 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methyl-ethyl]-4-(trifluoromethylsulfanyl)benzamide
  • n-[(1r)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methyl-ethyl]-4-(trifluoromethylthio)benzamide
  • n-[(1r)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-(trifluoromethylthio)benzamide
  • n-[(2r)-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
InChIKey WTERNLDOAPYGJD-GOSISDBHSA-N
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