Geometry & MOs

Info

ID:

381928

PubChem CID:

134972793

Reduced:

ON2C26H36 (1)

Stoich.:

AB2C26D36 (1)

Weight, g/mol:

688.079219

ΔHf, kcal/mol:

-20.77

Dipole, Da:

5.25

IP(EA), eV:

 -8.14(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

2-amino-9-[(6R,8R,15R,17R)-17-(2-amino-6-oxo-3H-purin-9-yl)-9,18-dihydroxy-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCCCC(CCCC)(/C=C/C1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations