Geometry & MOs

Info

ID:

301086

PubChem CID:

123059789

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

541.171222

ΔHf, kcal/mol:

-174.86

Dipole, Da:

4.24

IP(EA), eV:

 -8.78(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)OCC

DOS

IR

Vibrations