Formula |
C30H29Cl2N3O5 |
IUPAC Name |
3-[(1r)-2-(tert-butylamino)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl-formyl-amino]-2-oxo-ethyl]-6-chloro-indol-1-ium-2-carboxylic acid |
Molecular Mass |
582.474 g·mol−1 |
Heat of Formation |
-718.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.26 ± 1.08 D |
Volume |
662.54 Å 3 |
Surface Area |
450.72 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
1.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PESUUIPTWNTJKA-HHHXNRCGSA-N |
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Elements |
H
C
Cl
O
N
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