Geometry & MOs

Info

ID:

447257

PubChem CID:

135281513

Reduced:

FCl2N2O5H21C30 (1)

Stoich.:

AB2C2D5E21F30 (1)

Weight, g/mol:

647.165299

ΔHf, kcal/mol:

-150.48

Dipole, Da:

7.15

IP(EA), eV:

 -9.66(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-1-ethoxy-7-fluoro-5-[(1R)-1-(4-fluorooxan-4-yl)-1-hydroxypropyl]-3-oxoisoindol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CO[C@@]1(C2=C(C=C(C=C2F)C(=O)C3=CC=CC=N3)C(=O)N1C(CC(=O)O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations