Geometry & MOs

Info

ID:

301175

PubChem CID:

123068854

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

523.197043

ΔHf, kcal/mol:

-167.74

Dipole, Da:

6.11

IP(EA), eV:

 -7.97(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations