2,5-Dioxo-1-({5-[(3As,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Oxy)-3-Pyrrolidinesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H19N3O8S2 |
| IUPAC Name | (3s)-1-[5-[(3ar,4s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid |
| Molecular Mass | 421.446 g·mol−1 |
| Heat of Formation | -1258.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.25 ± 1.08 D |
| Volume | 447.38 Å 3 |
| Surface Area | 373.73 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | -0.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YCZTUBHUGXHSKE-JDVQERKKSA-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 |