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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Elements |
H
C
O
N
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