Geometry & MOs

Info

ID:	311605
PubChem CID:	126595466
Reduced:	ON4C5H10 (1)
Stoich.:	AB4C5D10 (1)
Weight, g/mol:	617.130765
ΔH_f, kcal/mol:	14.72
Dipole, Da:	2.78
IP(EA), eV:	-8.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] [(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CNN/C(=C(\C#N)/N)/CO

DOS

IR

Vibrations