Geometry & MOs

Info

ID:	51014
PubChem CID:	12013626
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	440.13184
ΔH_f, kcal/mol:	-37.94
Dipole, Da:	7.53
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]methyl]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)N

DOS

IR

Vibrations