Geometry & MOs

Info

ID:

301201

PubChem CID:

123069134

Reduced:

NO3C16H16 (2)

Stoich.:

AB3C16D16 (2)

Weight, g/mol:

527.155572

ΔHf, kcal/mol:

-131.89

Dipole, Da:

9.44

IP(EA), eV:

 -8.73(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)C#N)OCC

DOS

IR

Vibrations