Geometry & MOs

Info

ID:	61650
PubChem CID:	26711390
Reduced:	BrSN3O4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	443.070655
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	5.05
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations