Geometry & MOs

Info

ID:	84981
PubChem CID:	49871129
Reduced:	ClO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	304.071366
ΔH_f, kcal/mol:	-258.71
Dipole, Da:	1.23
IP(EA), eV:	-9.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl

DOS

IR

Vibrations