Geometry & MOs

Info

ID:

300917

PubChem CID:

123055399

Reduced:

N2O5C30H30 (1)

Stoich.:

A2B5C30D30 (1)

Weight, g/mol:

533.220223

ΔHf, kcal/mol:

-135.69

Dipole, Da:

10.97

IP(EA), eV:

 -8.46(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)NC(=O)C)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations