Geometry & MOs

Info

ID:

300761

PubChem CID:

123051139

Reduced:

FNCl2O3H18C25 (1)

Stoich.:

ABC2D3E18F25 (1)

Weight, g/mol:

543.225702

ΔHf, kcal/mol:

-92.84

Dipole, Da:

8.4

IP(EA), eV:

 -9.03(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-5-[3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations