Geometry & MOs

Info

ID:	10068
PubChem CID:	96647
Reduced:	NO8C12H15 (1)
Stoich.:	AB8C12D15 (1)
Weight, g/mol:	301.079766
ΔH_f, kcal/mol:	-250.68
Dipole, Da:	6.09
IP(EA), eV:	-10.26(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations