Formula |
C34H34N4O4 |
IUPAC Name |
methyl 3-[[4-[[(1s,3r)-5-amino-2-adamantyl]carbamoyl]phenyl]methyl]-4-oxo-1-phenyl-1,8-naphthyridin-1-ium-3-ide-2-carboxylate |
Molecular Mass |
562.658 g·mol−1 |
Heat of Formation |
-333.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.71 ± 1.08 D |
Volume |
666.64 Å 3 |
Surface Area |
534.16 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-1.27 ± eV |
Point Group Symmetry |
C1
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InChIKey |
OVPCOPWFTZDTCI-CJYKQNLHSA-N |
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Elements |
H
C
O
N
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