Geometry & MOs

Info

ID:

301174

PubChem CID:

123068807

Reduced:

ClNO5H28C29 (1)

Stoich.:

ABC5D28E29 (1)

Weight, g/mol:

515.230788

ΔHf, kcal/mol:

-137.89

Dipole, Da:

7.56

IP(EA), eV:

 -8.16(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC(C)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations