| Formula |
C27H34ClNO2S |
| IUPAC Name |
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-1-ium-2-ylium-2-yl]-2,2-dimethyl-propanoic acid |
| Molecular Mass |
472.082 g·mol−1 |
| Heat of Formation |
-428.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.72 ± 1.08 D |
| Volume |
596.18 Å 3 |
| Surface Area |
448.63 Å 2 |
| HOMO Energy |
-8.24 ± 0.55 eV |
| LUMO Energy |
-0.55 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid
- 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-isopropyl-2-indolyl]-2,2-dimethylpropanoic acid
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
- curator_000017
- tocris-1311
|
| InChIKey |
QAOAOVKBIIKRNL-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
Cl
H
O
N
S
|
| |
|
