Geometry & MOs

Info

ID:	336949
PubChem CID:	127255956
Reduced:	ClON2F3C7H8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	613.019853
ΔH_f, kcal/mol:	-206.45
Dipole, Da:	3.24
IP(EA), eV:	-10.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1OC(F)(F)F)CN.Cl

DOS

IR

Vibrations