Geometry & MOs

Info

ID:

191743

PubChem CID:

78183146

Reduced:

IN5O5C22H37 (1)

Stoich.:

AB5C5D22E37 (1)

Weight, g/mol:

560.079499

ΔHf, kcal/mol:

-190.77

Dipole, Da:

7.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.788239

Charge, e:

 1

Chem-info

IUPAC name:

[[5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCCCCCCCCCCI)N=[N+]=N

DOS

IR

Vibrations