N-[2-(Aminomethyl)-5-Chlorobenzyl]-1-{[(5R)-5-Hydroxy-2-Oxido-5H-Indeno[1,2-C]Pyridin-5-Yl]Carbonyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C26H31ClN4O4+
IUPAC Name (2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(5s)-5-hydroxy-2-oxido-3,4-dihydro-1h-indeno[1,2-c]pyridine-1,3,4,4a,9b-pentaide-5-carbonyl]pyrrolidine-2-carboxamide
Molecular Mass 499.002 g·mol−1
Heat of Formation -254.3 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 557.45 Å 3
Surface Area 453.7 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
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InChIKey GVACNUIKZUGUGU-JYFHCDHNSA-N
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