2-[(6-{[3'-(Aminomethyl)-3-Biphenylyl]Oxy}-4-[(3R)-3-(Dimethylamino)-1-Pyrrolidinyl]-3,5-Difluoro-2-Pyridinyl)Oxy]-4-(Dimethylamino)Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C33H35F2N5O4 |
IUPAC Name | 2-[[6-[3-[3-(aminomethyl)phenyl]phenoxy]-4-[(1r,3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoro-2-pyridyl]oxy]-4-(dimethylamino)benzoic acid |
Molecular Mass | 603.659 g·mol−1 |
Heat of Formation | -571.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.42 ± 1.08 D |
Volume | 712.98 Å 3 |
Surface Area | 531.66 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | -0.59 ± eV |
Point Group Symmetry | C1 |
InChIKey | WIFBOPRNBMRLLS-XMMPIXPASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |