Geometry & MOs

Info

ID:	178597
PubChem CID:	76354073
Reduced:	ClSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	489.094762
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	2.97
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NCCCCC2=NC(=CS2)C)OC

DOS

IR

Vibrations