Geometry & MOs

Info

ID:	187996
PubChem CID:	77652235
Reduced:	SO6C10H12 (2)
Stoich.:	AB6C10D12 (2)
Weight, g/mol:	504.076004
ΔH_f, kcal/mol:	-505.56
Dipole, Da:	4.41
IP(EA), eV:	-9.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(2-hydroxysulfonothioylphenyl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)C2=CC=CC=C2SS(=O)(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations