Geometry & MOs

Info

ID:	11116
PubChem CID:	111123
Reduced:	COH2 (6)
Stoich.:	ABC2 (6)
Weight, g/mol:	180.063388
ΔH_f, kcal/mol:	-260.69
Dipole, Da:	2.69
IP(EA), eV:	-10.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

Drug info:

PubChemData

Smile

C([C@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O)O

DOS

IR

Vibrations