Geometry & MOs

Info

ID:	172828
PubChem CID:	75558959
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	331.054611
ΔH_f, kcal/mol:	34.77
Dipole, Da:	7.87
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(N2C)C)C#N

DOS

IR

Vibrations