Geometry & MOs

Info

ID:

301024

PubChem CID:

123059439

Reduced:

NO5H31C33 (1)

Stoich.:

AB5C31D33 (1)

Weight, g/mol:

519.181251

ΔHf, kcal/mol:

-100.74

Dipole, Da:

8.21

IP(EA), eV:

 -8.69(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-chloro-2-methylphenyl)-5-(3-ethoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C(=O)N2C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations