N-{3-[(5Z)-5-[5-(1H-Indol-4-Yl)-1,3,4-Oxadiazol-2(3H)-Ylidene]-3-(Trifluoromethyl)-2,5-Dihydro-1H-Pyrazol-1-Yl]Benzyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C24H22F3N7O2
IUPAC Name (2s)-2-amino-n-[[3-[(3z)-3-[5-(1h-indol-4-yl)-3h-1,3,4-oxadiazol-2-ylidene]-5-(trifluoromethyl)-1h-pyrazol-2-yl]phenyl]methyl]propanamide
Molecular Mass 497.472 g·mol−1
Heat of Formation 3041.8 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 485.06 Å 3
Surface Area 431.46 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -3.52 ± eV
Point Group Symmetry C1
InChIKey AIYASLHMGKXCHQ-NTBIESDESA-N
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