Geometry & MOs

Info

ID:	167024
PubChem CID:	74768511
Reduced:	OSN2H10C11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	317.083413
ΔH_f, kcal/mol:	45.45
Dipole, Da:	4.58
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC)C4=CC=CS4

DOS

IR

Vibrations