(1R,2R)-2-{[(1S)-1-[(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydro-2(1H)-Isoquinolinyl]Carbonyl}Cyclohexanecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C26H26N2O5 |
| IUPAC Name | (1r,2r)-2-[(1s)-1-[(1,3-dioxoisoindolin-2-yl)methyl]-3,4-dihydro-1h-isoquinoline-2-carbonyl]cyclohexanecarboxylic acid |
| Molecular Mass | 446.495 g·mol−1 |
| Heat of Formation | -733.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.60 ± 1.08 D |
| Volume | 516.57 Å 3 |
| Surface Area | 400.43 Å 2 |
| HOMO Energy | -9.08 ± 0.55 eV |
| LUMO Energy | 1.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LNENLABLFGGAFF-YPAWHYETSA-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 |