Geometry & MOs

Info

ID:	434926
PubChem CID:	135176021
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	671.239612
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	1.82
IP(EA), eV:	-9.23(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(8-amino-3-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2C13CC3CNC2

DOS

IR

Vibrations