Geometry & MOs

Info

ID:

384979

PubChem CID:

134978075

Reduced:

ClP3N5C11O12H17 (1)

Stoich.:

AB3C5D11E12F17 (1)

Weight, g/mol:

876.299886

ΔHf, kcal/mol:

-636.28

Dipole, Da:

5.9

IP(EA), eV:

 -9.72(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[dichloro-[hydroxy(oxido)phosphoryl]methyl]phosphinate;triethylazanium

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O

DOS

IR

Vibrations