Geometry & MOs

Info

ID:

301212

PubChem CID:

123069222

Reduced:

ClNO6H24C30 (1)

Stoich.:

ABC6D24E30 (1)

Weight, g/mol:

529.069507

ΔHf, kcal/mol:

-132.43

Dipole, Da:

6.99

IP(EA), eV:

 -8.69(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(5-chloro-2-hydroxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC(=C(C(=C5)Cl)O)OC)/O

DOS

IR

Vibrations