Geometry & MOs

Info

ID:	61876
PubChem CID:	26715348
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	398.070321
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	8.59
IP(EA), eV:	-9.23(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-ethoxy-5-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC

DOS

IR

Vibrations