5-[(3As,4R,6Ar)-1-{[(1R)-1-(6-Nitro-1,3-Benzodioxol-5-Yl)Ethoxy]Carbonyl}-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H23N3O9S |
| IUPAC Name | 5-[(3ar,6r,6as)-3-[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]pentanoic acid |
| Molecular Mass | 481.476 g·mol−1 |
| Heat of Formation | -1154.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.00 ± 1.08 D |
| Volume | 522.23 Å 3 |
| Surface Area | 450.48 Å 2 |
| HOMO Energy | -9.08 ± 0.55 eV |
| LUMO Energy | 1.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MVOCLTWEOIJKEV-JTWAPGJUSA-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 |