Geometry & MOs

Info

ID:

300608

PubChem CID:

123045078

Reduced:

NO6H29C32 (1)

Stoich.:

AB6C29D32 (1)

Weight, g/mol:

539.090243

ΔHf, kcal/mol:

-129.9

Dipole, Da:

8.74

IP(EA), eV:

 -8.45(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3Z)-2-(3,4-dichlorophenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations