Geometry & MOs

Info

ID:	13292
PubChem CID:	225008
Reduced:	SO7C13H18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	318.077324
ΔH_f, kcal/mol:	-285.27
Dipole, Da:	4.89
IP(EA), eV:	-10.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations