Geometry & MOs

Info

ID:	169709
PubChem CID:	75140605
Reduced:	SN2O7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	8.76
IP(EA), eV:	-9.19(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations