(3R)-3-(2,4-Difluorophenyl)-2,2-Difluoro-3-Hydroxy-4-(1H-1,2,4-Triazol-1-Yl)Butanamide

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Properties Simple | Detailed

Formula C12H10F4N4O2
IUPAC Name (3s)-4-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-butanamide
Molecular Mass 318.227 g·mol−1
Heat of Formation -876.5 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 324.26 Å 3
Surface Area 266.67 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey KDHNDVXHMRYACP-LLVKDONJSA-N
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