Geometry & MOs

Info

ID:

300843

PubChem CID:

123055181

Reduced:

NO6C32H33 (1)

Stoich.:

AB6C32D33 (1)

Weight, g/mol:

523.119793

ΔHf, kcal/mol:

-185.47

Dipole, Da:

9.82

IP(EA), eV:

 -8.4(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-1-(3-chloro-4-fluorophenyl)-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(C)(C)C)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations