Formula |
C23H18ClNO3S |
IUPAC Name |
5-chloro-1-[(3-methoxyphenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid |
Molecular Mass |
423.912 g·mol−1 |
Heat of Formation |
-180.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.21 ± 1.08 D |
Volume |
483.64 Å 3 |
Surface Area |
379.8 Å 2 |
HOMO Energy |
-8.15 ± 0.55 eV |
LUMO Energy |
1.95 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)indole-2-carboxylic acid
- 5-chloro-1-[(3-methoxyphenyl)methyl]-3-(phenylthio)-2-indolecarboxylic acid
- 5-chloro-1-[(3-methoxyphenyl)methyl]-3-phenylsulfanylindole-2-carboxylic acid
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InChIKey |
NCLZXEPMARCQOX-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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