Geometry & MOs

Info

ID:

301211

PubChem CID:

123069221

Reduced:

ClNO7H28C29 (1)

Stoich.:

ABC7D28E29 (1)

Weight, g/mol:

529.129215

ΔHf, kcal/mol:

-209.1

Dipole, Da:

3.98

IP(EA), eV:

 -8.16(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC(C)C)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations