Geometry & MOs

Info

ID:	169753
PubChem CID:	75143854
Reduced:	NSO7H21C22 (1)
Stoich.:	ABC7D21E22 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	6.04
IP(EA), eV:	-8.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-methoxyanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=C(C(=O)C(=CC3=C(C(=CC=C3)OC)O)S2)C(=O)OC)OC

DOS

IR

Vibrations