Geometry & MOs

Info

ID:	153434
PubChem CID:	56312633
Reduced:	F2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	433.183541
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	11.46
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=CC=C3F

DOS

IR

Vibrations