Geometry & MOs

Info

ID:

301158

PubChem CID:

123060560

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

525.159908

ΔHf, kcal/mol:

-223.22

Dipole, Da:

7.29

IP(EA), eV:

 -8.41(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,5-difluorophenyl)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1N2C(/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OCC)OC

DOS

IR

Vibrations