Geometry & MOs

Info

ID:	62396
PubChem CID:	26719673
Reduced:	SN4O5C24H30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	475.076883
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	8.44
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

DOS

IR

Vibrations