N-{3-Chloro-4-[(1R,2S,6R,7S)-3,5-Dioxo-4-Azatricyclo[5.2.1.0~2,6~]Dec-8-En-4-Yl]Phenyl}-2-Pyridinecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H16ClN3O3 |
| IUPAC Name | n-[3-chloro-4-[(1r,2s,6r,7s)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]pyridine-2-carboxamide |
| Molecular Mass | 393.823 g·mol−1 |
| Heat of Formation | -139.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.74 ± 1.08 D |
| Volume | 427.23 Å 3 |
| Surface Area | 369.35 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | 1.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LJUABYFUJVRUSJ-FRVJLOGJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |