7-(6,7-Dimethoxy-3,4-Dihydro-2(1H)-Isoquinolinyl)-2-(3,4-Dimethoxyphenyl)-2-[(4-Methylphenyl)Sulfanyl]Heptanenitrile
Properties
| Property | Value |
|---|---|
| Formula | C33H40N2O4S |
| IUPAC Name | (2s)-7-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile |
| Molecular Mass | 560.747 g·mol−1 |
| Heat of Formation | -328.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.16 ± 1.08 D |
| Volume | 705.76 Å 3 |
| Surface Area | 564.87 Å 2 |
| HOMO Energy | -8.30 ± 0.55 eV |
| LUMO Energy | -0.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HLOQUFKUYZBZLI-MGBGTMOVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |