Geometry & MOs

Info

ID:

384505

PubChem CID:

134977109

Reduced:

F2P3N8O12C29H61 (1)

Stoich.:

A2B3C8D12E29F61 (1)

Weight, g/mol:

582.92699

ΔHf, kcal/mol:

-846.23

Dipole, Da:

18.63

IP(EA), eV:

 -9.08(-0.11)

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-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-bromomethyl]phosphonic acid

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])OP(=O)(C(F)(F)P(=O)(O)[O-])[O-])O

DOS

IR

Vibrations