Geometry & MOs

Info

ID:

300854

PubChem CID:

123055211

Reduced:

NF3O6H24C29 (1)

Stoich.:

AB3C6D24E29 (1)

Weight, g/mol:

528.189651

ΔHf, kcal/mol:

-323.09

Dipole, Da:

14.52

IP(EA), eV:

 -9.1(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-1-(3-acetamidophenyl)-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=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations