Formula |
C36H35N3O4 |
IUPAC Name |
(2r)-2-[[(2s)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(2h-indol-1-ium-2-ylium-3-yl)propanoic acid |
Molecular Mass |
573.681 g·mol−1 |
Heat of Formation |
-409.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.85 ± 1.08 D |
Volume |
702.23 Å 3 |
Surface Area |
521.3 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-0.51 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UZDORQWMYRRLQV-SAIUNTKASA-N |
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Links |
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Elements |
H
C
O
N
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