Geometry & MOs

Info

ID:	242951
PubChem CID:	99214439
Reduced:	ClSN3O4H20C24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	439.100205
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	12.12
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)/C=C\C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations