1-({[2-({1-[(Ethoxycarbonyl)Oxy]Ethoxy}Carbonyl)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-6-Yl]Amino}Methylene)Azepanium
Properties
| Property | Value |
|---|---|
| Formula | C20H31N3O6S |
| IUPAC Name | [(1s)-1-ethoxycarbonyloxyethyl] (2s,5r,6r)-6-[(e)-azepan-1-ylmethyleneamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Molecular Mass | 441.542 g·mol−1 |
| Heat of Formation | -969.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.34 ± 1.08 D |
| Volume | 523.36 Å 3 |
| Surface Area | 418.68 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | 2.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XHKFBADIZIDYBU-GEHZSGLKSA-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 |