| Formula |
C42H41ClN2O4S |
| IUPAC Name |
4-[3-[1-benzhydryl-5-chloro-2-[2-[(2,6-dimethylphenyl)methylsulfonylamino]ethyl]indol-1-ium-2-ylium-3-yl]propyl]benzoic acid |
| Molecular Mass |
705.304 g·mol−1 |
| Heat of Formation |
-403.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.76 ± 1.08 D |
| Volume |
836.42 Å 3 |
| Surface Area |
590.26 Å 2 |
| HOMO Energy |
-8.55 ± 0.55 eV |
| LUMO Energy |
2.19 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[3-[5-chloro-2-[2-[(2,6-dimethylbenzyl)sulfonylamino]ethyl]-1-[di(phenyl)methyl]indol-3-yl]propyl]benzoic acid
- 4-[3-[5-chloro-2-[2-[(2,6-dimethylphenyl)methylsulfonylamino]ethyl]-1-[di(phenyl)methyl]-3-indolyl]propyl]benzoic acid
|
| InChIKey |
YOFBEFNLUYVWRR-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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