Geometry & MOs

Info

ID:

300868

PubChem CID:

123055257

Reduced:

ClFNO6H23C27 (1)

Stoich.:

ABCD6E23F27 (1)

Weight, g/mol:

527.090243

ΔHf, kcal/mol:

-206.3

Dipole, Da:

12.09

IP(EA), eV:

 -8.64(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-dichlorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)F)Cl)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations