(1R,5S)-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 | (1r,5s)-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 | -434.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.26 ± 1.08 D |
Volume | 704.77 Å 3 |
Surface Area | 508.05 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | 2.29 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | SXZFQYPWEANJGQ-SKCUWOTOSA-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 |