Geometry & MOs

Info

ID:	123557
PubChem CID:	50854151
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	78.06
Dipole, Da:	7.83
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-2-(4-methoxyanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C(/C#N)\C3=CC=CC=C3

DOS

IR

Vibrations