Geometry & MOs

Info

ID:

384978

PubChem CID:

134978074

Reduced:

ClP3N8O12C29H62 (1)

Stoich.:

AB3C8D12E29F62 (1)

Weight, g/mol:

538.97751

ΔHf, kcal/mol:

-735.3

Dipole, Da:

25.1

IP(EA), eV:

 -8.19(-0.1)

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]-chloromethyl]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(P(=O)(O)[O-])Cl)[O-])O

DOS

IR

Vibrations