Geometry & MOs

Info

ID:	268420
PubChem CID:	103599319
Reduced:	ClSN3O3H16C20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	428.097683
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	1.17
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CN=CC=C2)NC(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations