Geometry & MOs

Info

ID:	9004
PubChem CID:	84950
Reduced:	PK2C3H5O6 (2)
Stoich.:	AB2C3D5E6 (2)
Weight, g/mol:	491.819576
ΔH_f, kcal/mol:	-840.93
Dipole, Da:	6.0
IP(EA), eV:	-8.27(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetrapotassium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]

DOS

IR

Vibrations