Geometry & MOs

Info

ID:

443106

PubChem CID:

135257720

Reduced:

SO3F5N6H27C30 (1)

Stoich.:

AB3C5D6E27F30 (1)

Weight, g/mol:

589.182239

ΔHf, kcal/mol:

-185.72

Dipole, Da:

1.53

IP(EA), eV:

 -9.06(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-cyclohexylphenyl)methyl]-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C4=NNN=N4)C(=O)[C@H]5CCN5S(=O)(=O)C6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations