Geometry & MOs

Info

ID:

301125

PubChem CID:

123059964

Reduced:

ClNF3O5H21C27 (1)

Stoich.:

ABC3D5E21F27 (1)

Weight, g/mol:

530.197235

ΔHf, kcal/mol:

-285.77

Dipole, Da:

9.47

IP(EA), eV:

 -9.17(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)OC(F)(F)F)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations