Geometry & MOs

Info

ID:	300112
PubChem CID:	119526860
Reduced:	ClF3N3O3C19H21 (1)
Stoich.:	AB3C3D3E19F21 (1)
Weight, g/mol:	396.127441
ΔH_f, kcal/mol:	-208.97
Dipole, Da:	3.84
IP(EA), eV:	-9.66(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N.Cl

DOS

IR

Vibrations