Geometry & MOs

Info

ID:

301191

PubChem CID:

123069066

Reduced:

NO7C30H31 (1)

Stoich.:

AB7C30D31 (1)

Weight, g/mol:

545.241352

ΔHf, kcal/mol:

-202.76

Dipole, Da:

6.74

IP(EA), eV:

 -8.48(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=C(C=CC(=C4)C)O)OC

DOS

IR

Vibrations