| Formula |
C22H16ClNO2S |
| IUPAC Name |
1-benzyl-5-chloro-3-phenylsulfanyl-indol-1-ium-2-carboxylic acid |
| Molecular Mass |
393.886 g·mol−1 |
| Heat of Formation |
-8.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.54 ± 1.08 D |
| Volume |
451.17 Å 3 |
| Surface Area |
364.09 Å 2 |
| HOMO Energy |
-8.22 ± 0.55 eV |
| LUMO Energy |
1.94 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(benzyl)-5-chloro-3-(phenylthio)indole-2-carboxylic acid
- 5-chloro-1-(phenylmethyl)-3-(phenylthio)-2-indolecarboxylic acid
- 5-chloro-1-(phenylmethyl)-3-phenylsulfanyl-indole-2-carboxylic acid
- 5-chloro-1-(phenylmethyl)-3-phenylsulfanylindole-2-carboxylic acid
|
| InChIKey |
RFESUVTWCSFPBG-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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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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