Geometry & MOs

Info

ID:

301075

PubChem CID:

123059740

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

533.221366

ΔHf, kcal/mol:

-174.79

Dipole, Da:

7.63

IP(EA), eV:

 -8.6(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations