Geometry & MOs

Info

ID:

301002

PubChem CID:

123059057

Reduced:

ClNO6C30H30 (1)

Stoich.:

ABC6D30E30 (1)

Weight, g/mol:

493.129215

ΔHf, kcal/mol:

-174.39

Dipole, Da:

7.79

IP(EA), eV:

 -8.48(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(3-methylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations