Geometry & MOs

Info

ID:

47319

PubChem CID:

10531520

Reduced:

PNa2S2F3N5O7C16H21 (1)

Stoich.:

AB2C2D3E5F7G16H21 (1)

Weight, g/mol:

593.940528

ΔHf, kcal/mol:

-593.48

Dipole, Da:

9.79

IP(EA), eV:

 -8.21(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-1,1,1,2,2,3,3,4,4,7,8,8,9,9,10,10,10-heptadecafluorodec-6-en-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations