Geometry & MOs

Info

ID:	303738
PubChem CID:	124490116
Reduced:	N2O6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	10.06
IP(EA), eV:	-9.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6S)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methylsulfanyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@H]([C@@H]2[C@@H](O1)N3C=CC(=O)N=C3O2)O

DOS

IR

Vibrations