Geometry & MOs

Info

ID:

301179

PubChem CID:

123068919

Reduced:

NO6C30H31 (1)

Stoich.:

AB6C30D31 (1)

Weight, g/mol:

541.171222

ΔHf, kcal/mol:

-155.13

Dipole, Da:

5.24

IP(EA), eV:

 -8.39(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OCC)OC

DOS

IR

Vibrations