Geometry & MOs

Info

ID:	24173
PubChem CID:	608259
Reduced:	NS2O6C17H23 (1)
Stoich.:	AB2C6D17E23 (1)
Weight, g/mol:	401.09668
ΔH_f, kcal/mol:	-230.39
Dipole, Da:	6.25
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)N4CCSCC4)O

DOS

IR

Vibrations