Geometry & MOs

Info

ID:

300609

PubChem CID:

123045181

Reduced:

NCl2O6H23C28 (1)

Stoich.:

AB2C6D23E28 (1)

Weight, g/mol:

517.190066

ΔHf, kcal/mol:

-177.2

Dipole, Da:

8.75

IP(EA), eV:

 -9.08(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 3-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations