Geometry & MOs

Info

ID:

301072

PubChem CID:

123059727

Reduced:

N2O6H30C31 (1)

Stoich.:

A2B6C30D31 (1)

Weight, g/mol:

519.205716

ΔHf, kcal/mol:

-136.16

Dipole, Da:

7.76

IP(EA), eV:

 -8.79(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)C#N)OCC

DOS

IR

Vibrations