Geometry & MOs

Info

ID:

300834

PubChem CID:

123055157

Reduced:

NF3O6H24C29 (1)

Stoich.:

AB3C6D24E29 (1)

Weight, g/mol:

519.144865

ΔHf, kcal/mol:

-322.29

Dipole, Da:

9.41

IP(EA), eV:

 -9.05(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(3E)-1-(5-chloro-2-methylphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations