N-[(1R)-1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethyl]-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)Benzamide

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Properties Simple | Detailed

Formula C25H18Cl2N6O2
IUPAC Name n-[(1r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular Mass 505.355 g·mol−1
Heat of Formation 359.3 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 556.01 Å 3
Surface Area 482.63 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
InChIKey KSMSKLCCSVEWDM-QFIPXVFZSA-N
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