N~2~,N~2~-Dimethyl-N~5~-{[(2-Methyl-1-Benzofuran-5-Yl)Amino]({(3S)-2-Oxo-1-[2-Oxo-2-(1-Pyrrolidinyl)Ethyl]-3-Azepanyl}Amino)Methylene}-2,5-Pyridinedicarboxamide

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Properties Simple | Detailed

Formula C31H37N7O5
IUPAC Name 2-n,2-n-dimethyl-5-n-[n-(2-methyl-1-benzofuran-5-yl)-n'-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyridine-2,5-dicarboxamide
Molecular Mass 587.669 g·mol−1
Heat of Formation -529.8 ± 16.7 kJ·mol−1
Dipole Moment 10.77 ± 1.08 D
Volume 695.78 Å 3
Surface Area 571.51 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey YLSKCQOVDOZHTQ-VWLOTQADSA-N
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