Geometry & MOs

Info

ID:	322504
PubChem CID:	126670295
Reduced:	SO6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	528.01373
ΔH_f, kcal/mol:	-237.14
Dipole, Da:	8.54
IP(EA), eV:	-9.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-2-hydroxypropoxy] thiohypoiodite

Drug info:

PubChemData

Smile

CO[C@H]1[C@H](O[C@H]([C@@H]1CS(=O)(=O)C2=CC=CC=C2)CCC=C)C[C@@H](CO)O

DOS

IR

Vibrations