Geometry & MOs

Info

ID:	334212
PubChem CID:	127252764
Reduced:	F2N2O5H18C20 (1)
Stoich.:	A2B2C5D18E20 (1)
Weight, g/mol:	497.147452
ΔH_f, kcal/mol:	-233.15
Dipole, Da:	6.35
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]-3-quinolin-6-ylpropanoic acid

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations