Geometry & MOs

Info

ID:

301082

PubChem CID:

123059776

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

545.241352

ΔHf, kcal/mol:

-171.33

Dipole, Da:

6.91

IP(EA), eV:

 -8.48(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations