2-{[(1S)-2-{[(1R,2S)-2-(1H-Tetrazol-5-Yl)Cyclohexyl]Carbonyl}-1,2,3,4-Tetrahydro-1-Isoquinolinyl]Methyl}-1H-Isoindole-1,3(2H)-Dione
Properties
| Property | Value |
|---|---|
| Formula | C26H26N6O3 |
| IUPAC Name | 2-[[(1s)-2-[(1r,2s)-2-(2h-tetrazol-5-yl)cyclohexanecarbonyl]-3,4-dihydro-1h-isoquinolin-1-yl]methyl]isoindoline-1,3-dione |
| Molecular Mass | 470.523 g·mol−1 |
| Heat of Formation | -58.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.79 ± 1.08 D |
| Volume | 543.58 Å 3 |
| Surface Area | 419.37 Å 2 |
| HOMO Energy | -9.54 ± 0.55 eV |
| LUMO Energy | 1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ADUCXORFAZLUAN-NNMXDRDESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |