Geometry & MOs

Info

ID:	169708
PubChem CID:	75140604
Reduced:	SN2O6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	3.15
IP(EA), eV:	-9.17(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)C)C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations