Geometry & MOs

Info

ID:

145149

PubChem CID:

53470926

Reduced:

PNa3S3N5O13H17C22 (1)

Stoich.:

AB3C3D5E13F17G22 (1)

Weight, g/mol:

490.11065

ΔHf, kcal/mol:

-616.55

Dipole, Da:

15.68

IP(EA), eV:

 -7.77(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

1,1,1,2,2,3,3-heptafluoropropane;1,2,3,4,5-pentamethylcyclopentane;rhodium(3+);trimethylphosphanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)P(=O)([O-])[O-])N=NC2=CC(=C(C=C2)N/N=C\3/C(=O)C=CC4=C3C(=CC(=C4)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations