Geometry & MOs

Info

ID:	11562
PubChem CID:	117705
Reduced:	BrO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	384.02085
ΔH_f, kcal/mol:	-220.71
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations