1,4:3,6-Dianhydro-2-O-{[2-(Ethylsulfanyl)-1,2-Dihydro-3-Pyridinyl]Carbonyl}-5-O-Nitro-D-Glucitol
Properties
| Property | Value |
|---|---|
| Formula | C14H18N2O7S |
| IUPAC Name | [(3s,3ar,6r,6as)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2r)-2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate |
| Molecular Mass | 358.367 g·mol−1 |
| Heat of Formation | -669.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.12 ± 1.08 D |
| Volume | 396.31 Å 3 |
| Surface Area | 332.68 Å 2 |
| HOMO Energy | -8.45 ± 0.55 eV |
| LUMO Energy | -0.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ISKSFVDWBALXEP-ZOLYEBIHSA-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 |