Geometry & MOs

Info

ID:	383415
PubChem CID:	134975121
Reduced:	S3O10C15H22 (1)
Stoich.:	A3B10C15D22 (1)
Weight, g/mol:	336.033745
ΔH_f, kcal/mol:	-447.97
Dipole, Da:	5.33
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S)-7,8-diacetyloxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonan-6-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)SS(=O)(=O)C)CSC(=O)C

DOS

IR

Vibrations