N-(Diphenylmethyl)-6-{[2-(Methyleneamino)Butanoyl]Amino}-5-Oxo-1,2,3,5,6,9,10,10A-Octahydropyrrolo[1,2-A]Azocine-3-Carboxamide

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Formula C29H34N4O3
IUPAC Name (3s,6s,7z,10as)-n-benzhydryl-6-[[(2s)-2-(methyleneamino)butanoyl]amino]-5-oxo-2,3,6,9,10,10a-hexahydro-1h-pyrrolo[1,2-a]azocine-3-carboxamide
Molecular Mass 486.605 g·mol−1
Heat of Formation -233.2 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 625.38 Å 3
Surface Area 493.55 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
InChIKey DOJSRSYBMNHTER-QORCZRPOSA-N
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