Geometry & MOs

Info

ID:

434159

PubChem CID:

135174322

Reduced:

FPO8N10C20H24 (1)

Stoich.:

ABC8D10E20F24 (1)

Weight, g/mol:

679.126504

ΔHf, kcal/mol:

-334.47

Dipole, Da:

10.3

IP(EA), eV:

 -9.16(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S)-4-(7-amino-1,2-dihydrotriazolo[4,5-d]pyrimidin-3-yl)-4-hydroxyoxolan-2-yl]methyl [(4R,5R)-3-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@@H]2C[C@](OC2N3C=NC4=C3NC(=NC4=O)N)(CO)F)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations