Geometry & MOs

Info

ID:

310062

PubChem CID:

126573454

Reduced:

N2O5C26H42 (1)

Stoich.:

A2B5C26D42 (1)

Weight, g/mol:

673.115939

ΔHf, kcal/mol:

-176.21

Dipole, Da:

5.31

IP(EA), eV:

 -9.01(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-amino-9-[(14E,18R)-18-amino-8-(6-amino-1,2,3,4,7,8-hexahydropurin-9-yl)-3,3,9,12,12-pentahydroxy-2,4,7,11,13,16-hexaoxa-3,12-diphosphoniatricyclo[13.2.1.06,10]octadeca-1(17),6(10),8,14-tetraen-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCCC5)OC)C

DOS

IR

Vibrations