N-[(1R)-1-(3,4'-Difluoro-4-Biphenylyl)-2-(1H-Imidazol-1-Yl)Ethyl]-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)Benzamide

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Properties Simple | Detailed

Formula C32H23F2N5O2
IUPAC Name n-[(1r)-1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-(4h-imidazol-3-ium-4-ylium-3-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular Mass 547.554 g·mol−1
Heat of Formation 59.4 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 628.43 Å 3
Surface Area 540.83 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
InChIKey YTJXXDVLDUKYHV-LJAQVGFWSA-N
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