Geometry & MOs

Info

ID:

447266

PubChem CID:

135281579

Reduced:

FNCl2O6H24C29 (1)

Stoich.:

ABC2D6E24F29 (1)

Weight, g/mol:

603.02149

ΔHf, kcal/mol:

-244.24

Dipole, Da:

4.98

IP(EA), eV:

 -9.69(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-bromo-1-(4-chlorophenyl)-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxoisoindol-2-yl]-3-(4-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C(=C1)F)[C@@](N(C2=O)[C@@H](CC(=O)O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O[C@H]5CCOC5

DOS

IR

Vibrations