Geometry & MOs

Info

ID:

191690

PubChem CID:

78178288

Reduced:

FPK2O9C24H34 (1)

Stoich.:

ABC2D9E24F34 (1)

Weight, g/mol:

546.193508

ΔHf, kcal/mol:

-603.87

Dipole, Da:

8.66

IP(EA), eV:

 -7.38(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1(OC2CC3C4CCC5CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)COP(=O)([O-])[O-])C)O)F)C)C.[K+].[K+]

DOS

IR

Vibrations