Geometry & MOs

Info

ID:	169703
PubChem CID:	75140505
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	4.59
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxyanilino)-4-oxo-5-(pyridin-2-ylmethylidene)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=CC=CN2C)C1=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations