Geometry & MOs

Info

ID:	2969
PubChem CID:	8973
Reduced:	O6C7H14 (1)
Stoich.:	A6B7C14 (1)
Weight, g/mol:	194.079038
ΔH_f, kcal/mol:	-257.9
Dipole, Da:	0.97
IP(EA), eV:	-10.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations