Formula |
C36H37N5O4 |
IUPAC Name |
2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]-5-(3-methylbutanoylamino)phenyl]-5-carbamoyl-benzoic acid |
Molecular Mass |
603.710 g·mol−1 |
Heat of Formation |
-411.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.38 ± 1.08 D |
Volume |
735.36 Å 3 |
Surface Area |
601.67 Å 2 |
HOMO Energy |
-8.26 ± 0.55 eV |
LUMO Energy |
1.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PDUMJXCNOKHQKH-SVXHESJVSA-N |
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Elements |
H
C
O
N
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