(4R,5R)-5-[4-[4-(1-Aza-4-Azoniabicyclo[2.2.2]Octan-4-Yl)Butoxy]Phenyl]-3,3-Dibutyl-7,8-Dimethoxy-1,1-Dioxo-4,5-Dihydro-2H-1Λ6-Benzothiepin-4-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C36H55N2O6S+
IUPAC Name (4r,5r)-5-[4-[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)butoxy]phenyl]-3,3-dibutyl-7,8-dimethoxy-1,1-dioxo-4,5-dihydro-2h-1λ6-benzothiepin-4-ol
Molecular Mass 643.897 g·mol−1
Heat of Formation -839.0 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 796.53 Å 3
Surface Area 653.26 Å 2
Point Group Symmetry C1
InChIKey PHAUFFBQHZENJE-VSJLXWSYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N