Geometry & MOs

Info

ID:

300764

PubChem CID:

123054688

Reduced:

NO6C32H35 (1)

Stoich.:

AB6C32D35 (1)

Weight, g/mol:

533.196901

ΔHf, kcal/mol:

-177.79

Dipole, Da:

11.74

IP(EA), eV:

 -8.17(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations