Geometry & MOs

Info

ID:	83900
PubChem CID:	49862292
Reduced:	F2N3O3C29H37 (1)
Stoich.:	A2B3C3D29E37 (1)
Weight, g/mol:	423.138341
ΔH_f, kcal/mol:	-228.93
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-[[(1R,5R,6S)-3-azabicyclo[3.2.1]octan-6-yl]oxy]phenyl]pyridin-3-yl]ethanesulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC(=CC=C3)N4CCCCC4=O)O

DOS

IR

Vibrations