Formula |
C28H24ClNO6 |
IUPAC Name |
(2s)-3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-2-ylium-3-yl]acetyl]oxy-2-phenyl-propanoic acid |
Molecular Mass |
505.946 g·mol−1 |
Heat of Formation |
-809.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.05 ± 1.08 D |
Volume |
583.14 Å 3 |
Surface Area |
425.52 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UCCJWNPWWPJKGL-XMMPIXPASA-N |
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Elements |
H
C
N
O
Cl
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