Geometry & MOs

Info

ID:

300629

PubChem CID:

123046492

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

517.210052

ΔHf, kcal/mol:

-181.74

Dipole, Da:

7.43

IP(EA), eV:

 -7.73(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-tert-butylphenyl)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxy-4-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCCCC4)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations