Geometry & MOs

Info

ID:

300867

PubChem CID:

123055254

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

511.119793

ΔHf, kcal/mol:

-239.19

Dipole, Da:

7.99

IP(EA), eV:

 -7.94(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)O)OCC

DOS

IR

Vibrations