Geometry & MOs

Info

ID:

300844

PubChem CID:

123055188

Reduced:

ClFNO6H23C28 (1)

Stoich.:

ABCD6E23F28 (1)

Weight, g/mol:

539.090243

ΔHf, kcal/mol:

-213.81

Dipole, Da:

14.78

IP(EA), eV:

 -8.86(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-1-(3,5-dichlorophenyl)-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)F)Cl)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations