Geometry & MOs

Info

ID:	169702
PubChem CID:	75140021
Reduced:	ClON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	2.28
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxyanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3C(C(=O)N(C2=O)C(C)C)N(C=N3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations