Geometry & MOs

Info

ID:

447290

PubChem CID:

135281783

Reduced:

FSO3N4C27H37 (1)

Stoich.:

ABC3D4E27F37 (1)

Weight, g/mol:

653.97939

ΔHf, kcal/mol:

-112.86

Dipole, Da:

4.29

IP(EA), eV:

 -8.3(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-bromo-2-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-(4-chlorophenyl)-7-fluoro-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)N[C@@](CCC1=CC(=C(C=C1)F)NC(=O)[C@H]2C[C@H](CN2)OC)(C3CC3)C4=CC=CC=N4

DOS

IR

Vibrations