Geometry & MOs

Info

ID:	436952
PubChem CID:	135213241
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	554.012874
ΔH_f, kcal/mol:	103.41
Dipole, Da:	3.2
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3R,4S)-2-(aminomethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC2=C(C(=CN=C2C1)N)C3=CC=CC=CC=CC=C3

DOS

IR

Vibrations