Geometry & MOs

Info

ID:	384697
PubChem CID:	134977492
Reduced:	PS2O11C31H59 (1)
Stoich.:	AB2C11D31E59 (1)
Weight, g/mol:	427.011658
ΔH_f, kcal/mol:	-674.25
Dipole, Da:	3.91
IP(EA), eV:	-9.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=S)(OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)S

DOS

IR

Vibrations