(2S,3R)-3-{[3,5-Bis(Trifluoromethyl)Phenyl]Amino}-2-Cyano-3-Sulfanylpropanamide

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Properties Simple | Detailed

Formula C12H9F6N3OS
IUPAC Name (2s,3r)-3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-sulfanyl-propanamide
Molecular Mass 357.275 g·mol−1
Heat of Formation -1269.4 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 358.31 Å 3
Surface Area 314.59 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey ZTUMRSFHUOBXAC-WCBMZHEXSA-N
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