Geometry & MOs

Info

ID:	169704
PubChem CID:	75140506
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	441.124609
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	6.81
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=CC=CC=N2)C1=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations