Geometry & MOs

Info

ID:

301046

PubChem CID:

123059612

Reduced:

NCl2O4H29C30 (1)

Stoich.:

AB2C4D29E30 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-107.9

Dipole, Da:

8.6

IP(EA), eV:

 -8.85(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(4Z)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-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(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations