Geometry & MOs

Info

ID:

300668

PubChem CID:

123050741

Reduced:

NO6H27C29 (1)

Stoich.:

AB6C27D29 (1)

Weight, g/mol:

515.158017

ΔHf, kcal/mol:

-163.81

Dipole, Da:

7.47

IP(EA), eV:

 -8.84(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3C)C)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations