Geometry & MOs

Info

ID:	187650
PubChem CID:	77604315
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	648.242471
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	7.02
IP(EA), eV:	-8.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzylsulfonyl-2-cyclohexyloxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(CCN1)C2=CC(=C(C=C2)S(=O)(=O)C)C

DOS

IR

Vibrations