Geometry & MOs

Info

ID:	15537
PubChem CID:	443445
Reduced:	ZnC12O14H22 (1)
Stoich.:	AB12C14D22 (1)
Weight, g/mol:	454.030097
ΔH_f, kcal/mol:	-643.78
Dipole, Da:	3.46
IP(EA), eV:	-10.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Zn+2]

DOS

IR

Vibrations