Formula |
C32H33N5O4 |
IUPAC Name |
(2s)-n-[(3s)-1-(4-aminobenzoyl)-5-[(2-methoxy-1-naphthyl)methyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide |
Molecular Mass |
551.636 g·mol−1 |
Heat of Formation |
-332.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.60 ± 1.08 D |
Volume |
653.17 Å 3 |
Surface Area |
476.57 Å 2 |
HOMO Energy |
-8.45 ± 0.55 eV |
LUMO Energy |
2.41 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BXNIMYHZUMCTGM-FNZWTVRRSA-N |
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Links |
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Elements |
H
C
O
N
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