Geometry & MOs

Info

ID:

434228

PubChem CID:

135174461

Reduced:

PSO8N10C23H31 (1)

Stoich.:

ABC8D10E23F31 (1)

Weight, g/mol:

663.191473

ΔHf, kcal/mol:

-288.84

Dipole, Da:

8.78

IP(EA), eV:

 -8.8(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-amino-5-(6-aminopurin-9-yl)-2-ethynyl-4-hydroxyoxolan-2-yl]methyl [2-(2-amino-6-oxo-3H-purin-9-yl)-5-(ethoxymethyl)-4-hydroxyoxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1C(C(OC1COP(=O)(O)OC2C(C(SC2N3C=NC4=C3NC(=NC4=O)N)COC)O)N5C=NC6=C(N=CN=C65)N)C

DOS

IR

Vibrations