Methyl ({[(1R,2R,6R,7R)-4-(4-Aminophenyl)-3,5-Dioxo-4-Azatricyclo[5.2.2.0~2,6~]Undec-1-Yl]Carbamoyl}Oxy)Acetate
Properties
| Property | Value |
|---|---|
| Formula | C20H23N3O6 |
| IUPAC Name | methyl ({[(1r,2r,6r,7r)-4-(4-aminophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0 2,6 ]undec-1-yl]carbamoyl}oxy)acetate |
| Molecular Mass | 401.413 g·mol−1 |
| Heat of Formation | -990.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.29 ± 1.08 D |
| Volume | 452.9 Å 3 |
| Surface Area | 385.17 Å 2 |
| HOMO Energy | -8.30 ± 0.55 eV |
| LUMO Energy | 3.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PWUNEFYJETTWLK-KCQBUTHOSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |