Geometry & MOs

Info

ID:

215075

PubChem CID:

85084107

Reduced:

N5O10C35H39 (1)

Stoich.:

A5B10C35D39 (1)

Weight, g/mol:

689.321118

ΔHf, kcal/mol:

-247.34

Dipole, Da:

9.66

IP(EA), eV:

 -9.3(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-difluoro-3-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]-N-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations