Geometry & MOs

Info

ID:	34512
PubChem CID:	7978600
Reduced:	ClO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	398.110042
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	2.93
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

DOS

IR

Vibrations