Geometry & MOs

Info

ID:	52769
PubChem CID:	12015919
Reduced:	SC8O8H16 (1)
Stoich.:	AB8C8D16 (1)
Weight, g/mol:	403.147846
ΔH_f, kcal/mol:	-359.69
Dipole, Da:	4.41
IP(EA), eV:	-9.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,4R,5S,6R)-2-acetamido-3,4,5-triacetyloxy-6-methoxycyclohexyl] acetate

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@@H]([C@@H](C([C@H]1O)O)O)OS(=O)(=O)C)O

DOS

IR

Vibrations