Geometry & MOs

Info

ID:	3186
PubChem CID:	9291
Reduced:	FeC12O14H24 (1)
Stoich.:	AB12C14D24 (1)
Weight, g/mol:	448.051541
ΔH_f, kcal/mol:	-457.05
Dipole, Da:	4.17
IP(EA), eV:	-7.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron;(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid

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.[Fe]

DOS

IR

Vibrations