Geometry & MOs

Info

ID:	19384
PubChem CID:	562827
Reduced:	SO7C13H16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	316.061674
ΔH_f, kcal/mol:	-276.64
Dipole, Da:	6.33
IP(EA), eV:	-10.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC(O3)C(C2O)O

DOS

IR

Vibrations