Geometry & MOs

Info

ID:	172826
PubChem CID:	75558185
Reduced:	ClON3H14C20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	331.054611
ΔH_f, kcal/mol:	74.28
Dipole, Da:	6.7
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-5-[(1,5-dimethylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations