Geometry & MOs

Info

ID:

447256

PubChem CID:

135281506

Reduced:

Cl2N2O5C31H32 (1)

Stoich.:

A2B2C5D31E32 (1)

Weight, g/mol:

578.081155

ΔHf, kcal/mol:

-146.98

Dipole, Da:

5.71

IP(EA), eV:

 -9.41(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-methoxy-3-oxo-5-(pyridine-2-carbonyl)isoindol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)(C(=O)N(C)C)O

DOS

IR

Vibrations