Geometry & MOs

Info

ID:	187259
PubChem CID:	77551958
Reduced:	SF3O5C11H11 (1)
Stoich.:	AB3C5D11E11 (1)
Weight, g/mol:	586.389634
ΔH_f, kcal/mol:	-347.7
Dipole, Da:	3.89
IP(EA), eV:	-10.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-ethyl-2,2,4-trimethyl-4-(6-trityloxynonyl)-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-b]pyrrol-4-ium-5-ol

Drug info:

PubChemData

Smile

CC(C(F)(F)F)OC1=C(C=CC=C1S(=O)(=O)C)C(=O)O

DOS

IR

Vibrations