Formula |
C27H36N4O2 |
IUPAC Name |
(2s)-n-[(1s)-1-benzyl-2-(2-indol-1-ium-3-ylethylamino)-2-oxo-ethyl]-n,4-dimethyl-2-(methylamino)pentanamide |
Molecular Mass |
448.600 g·mol−1 |
Heat of Formation |
-279.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.95 ± 1.08 D |
Volume |
579.16 Å 3 |
Surface Area |
388.78 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
2.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SOIIKURIVIWMKK-DQEYMECFSA-N |
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Elements |
H
C
O
N
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