3-{1-[(4-Chlorophenyl)Sulfanyl]-4-Methyl-6-[2-(5-Phenyl-2-Pyridinyl)Ethyl]-4,5-Dihydro-1H-Pyrano[2,3,4-Cd]Indol-2-Yl}-2,2-Dimethylpropanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C35H33ClN2O3S |
| IUPAC Name | 3-[(6s)-2-(4-chlorophenyl)sulfanyl-6-methyl-9-[2-(5-phenyl-2-pyridyl)ethyl]-5-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-3-yl]-2,2-dimethyl-propanoic acid |
| Molecular Mass | 597.166 g·mol−1 |
| Heat of Formation | -188.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.64 ± 1.08 D |
| Volume | 705.0 Å 3 |
| Surface Area | 566.19 Å 2 |
| HOMO Energy | -8.19 ± 0.55 eV |
| LUMO Energy | 2.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KFQLXKPMLIOPDQ-QFIPXVFZSA-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 |