Geometry & MOs

Info

ID:

191163

PubChem CID:

78113699

Reduced:

O11C17H32 (1)

Stoich.:

A11B17C32 (1)

Weight, g/mol:

678.131255

ΔHf, kcal/mol:

-516.74

Dipole, Da:

1.69

IP(EA), eV:

 -10.27(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

DOS

IR

Vibrations