Geometry & MOs

Info

ID:

301110

PubChem CID:

123059903

Reduced:

NCl2O5H23C27 (1)

Stoich.:

AB2C5D23E27 (1)

Weight, g/mol:

513.074593

ΔHf, kcal/mol:

-144.74

Dipole, Da:

5.31

IP(EA), eV:

 -8.92(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations