Formula |
C31H28N4O3 |
IUPAC Name |
2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]-5-carbamoyl-benzoic acid |
Molecular Mass |
504.579 g·mol−1 |
Heat of Formation |
-120.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.60 ± 1.08 D |
Volume |
600.03 Å 3 |
Surface Area |
501.47 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DPAVVGLNAXECAW-JTSJOTPCSA-N |
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Elements |
H
C
O
N
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