Geometry & MOs

Info

ID:	21878
PubChem CID:	593024
Reduced:	NOSC6H6 (2)
Stoich.:	ABCD6E6 (2)
Weight, g/mol:	280.03402
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	3.74
IP(EA), eV:	-8.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=NC(=O)C(=CC2=C(C=CS2)C)S1

DOS

IR

Vibrations