Geometry & MOs

Info

ID:

301040

PubChem CID:

123059518

Reduced:

NF3O4H26C32 (1)

Stoich.:

AB3C4D26E32 (1)

Weight, g/mol:

547.176165

ΔHf, kcal/mol:

-217.87

Dipole, Da:

5.4

IP(EA), eV:

 -9.04(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC5=CC=CC=C54)/O

DOS

IR

Vibrations