Geometry & MOs

Info

ID:

170461

PubChem CID:

75236524

Reduced:

SCl2P3Na4N5C12O12H14 (1)

Stoich.:

AB2C3D4E5F12G12H14 (1)

Weight, g/mol:

618.926259

ΔHf, kcal/mol:

-914.6

Dipole, Da:

18.07

IP(EA), eV:

 -8.05(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[[5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid

Drug info:

PubChemData

Smile

CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(C(P(=O)([O-])[O-])(Cl)Cl)[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations