Geometry & MOs

Info

ID:	384216
PubChem CID:	134976543
Reduced:	PS2N3O5C9H12 (1)
Stoich.:	AB2C3D5E9F12 (1)
Weight, g/mol:	518.923845
ΔH_f, kcal/mol:	-226.94
Dipole, Da:	7.54
IP(EA), eV:	-9.62(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)([O-])[S-])O

DOS

IR

Vibrations