Geometry & MOs

Info

ID:	169707
PubChem CID:	75140588
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	426.088557
ΔH_f, kcal/mol:	-136.69
Dipole, Da:	6.83
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-hydroxy-3-methylphenyl)methylidene]-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)OC)O)C1=O)NC3=CC=CC=C3C

DOS

IR

Vibrations