Geometry & MOs

Info

ID:	384322
PubChem CID:	134976774
Reduced:	SP2N4O9C10H11 (1)
Stoich.:	AB2C4D9E10F11 (1)
Weight, g/mol:	427.995673
ΔH_f, kcal/mol:	-304.62
Dipole, Da:	7.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.883293
Charge, e:	0

Chem-info

IUPAC name:

dihydroxyphosphinothioyl [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)([O-])OP(=S)([O-])[O-])O

DOS

IR

Vibrations