Geometry & MOs

Info

ID:

301104

PubChem CID:

123059870

Reduced:

ClNO7H26C28 (1)

Stoich.:

ABC7D26E28 (1)

Weight, g/mol:

507.144865

ΔHf, kcal/mol:

-209.82

Dipole, Da:

7.5

IP(EA), eV:

 -8.74(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-chloro-4-hydroxyphenyl)-1-(3-ethoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations