Geometry & MOs

Info

ID:

384885

PubChem CID:

134977866

Reduced:

N2P2C16O17H24 (1)

Stoich.:

A2B2C16D17E24 (1)

Weight, g/mol:

706.089784

ΔHf, kcal/mol:

-718.95

Dipole, Da:

3.08

IP(EA), eV:

 -10.45(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

DOS

IR

Vibrations