Geometry & MOs

Info

ID:	127883
PubChem CID:	51021283
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	315.077658
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	2.38
IP(EA), eV:	-9.94(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,4R,5S)-2-amino-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]2CO[C@@H](O2)[C@@H]3[C@H]1[C@H]4C[C@@H]3C=C4

DOS

IR

Vibrations