Geometry & MOs

Info

ID:	177413
PubChem CID:	76183475
Reduced:	ClNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	333.043284
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	4.97
IP(EA), eV:	-9.11(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[3-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]-2,6-dimethoxyphenolate

Drug info:

PubChemData

Smile

CCOC1=C(C2C=C(C=CC2=NC1=O)Cl)O

DOS

IR

Vibrations