Geometry & MOs

Info

ID:

300696

PubChem CID:

123050878

Reduced:

NO4C30H31 (1)

Stoich.:

AB4C30D31 (1)

Weight, g/mol:

499.199488

ΔHf, kcal/mol:

-99.71

Dipole, Da:

8.27

IP(EA), eV:

 -8.7(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-[3-(2-methylpropoxy)phenyl]-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=C(C=CC(=C3)C)C)C4=CC(=CC=C4)OCC(C)C)/O

DOS

IR

Vibrations