Geometry & MOs

Info

ID:	54006
PubChem CID:	14719455
Reduced:	PtSN2C6O7H14 (1)
Stoich.:	ABC2D6E7F14 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	4.02
IP(EA), eV:	-9.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[6-(hydroxymethyl)-4-octylmorpholin-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N.[O-]S(=O)(=O)[O-].[Pt+2]

DOS

IR

Vibrations