N-(2-Iminoethyl)-3-[5-(Iminomethyl)-1,3,4-Oxadiazol-2-Yl]-Nalpha-{[1-Methyl-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Carbonyl}-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C23H28N8O3
IUPAC Name 5-tert-butyl-n-[(1s)-2-(2-iminoethylamino)-1-[[3-(5-methanimidoyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-ethyl]-2-methyl-4h-pyrazol-2-ium-4-ide-3-carboxamide
Molecular Mass 464.520 g·mol−1
Heat of Formation 44.4 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 567.66 Å 3
Surface Area 467.95 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
InChIKey TVWDSIGUOHNHHP-TTWIPJPDSA-N
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