Geometry & MOs

Info

ID:	170654
PubChem CID:	75263713
Reduced:	ClNO6H20C26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	479.118044
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	9.18
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,4-difluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)O)C4=CC=CC=C4Cl)O

DOS

IR

Vibrations