Geometry & MOs

Info

ID:

301101

PubChem CID:

123059861

Reduced:

ClNO7H26C28 (1)

Stoich.:

ABC7D26E28 (1)

Weight, g/mol:

521.160515

ΔHf, kcal/mol:

-212.52

Dipole, Da:

4.09

IP(EA), eV:

 -8.68(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C(=C4)Cl)O)OC

DOS

IR

Vibrations