Geometry & MOs

Info

ID:	149541
PubChem CID:	53789214
Reduced:	S2N3O3H9C11 (1)
Stoich.:	A2B3C3D9E11 (1)
Weight, g/mol:	340.094688
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	3.93
IP(EA), eV:	-8.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethoxy-5-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=O)C3=C(C2=O)SCCS3

DOS

IR

Vibrations