(1S,5R)-7-{4-[3-(2-Chloro-3,6-Difluorophenoxy)Propyl]Phenyl}-N-Cyclopropyl-N-(2,3-Dichlorobenzyl)-3,9-Diazabicyclo[3.3.1]Non-6-Ene-6-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C33H32Cl3F2N3O2 |
| IUPAC Name | (1s,5r)-7-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-n-cyclopropyl-n-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide |
| Molecular Mass | 646.982 g·mol−1 |
| Heat of Formation | -441.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.80 ± 1.08 D |
| Volume | 704.14 Å 3 |
| Surface Area | 522.65 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | 2.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SXZFQYPWEANJGQ-DWACAAAGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H Cl O N |