Geometry & MOs

Info

ID:	127602
PubChem CID:	51008246
Reduced:	SO5C16H20 (1)
Stoich.:	AB5C16D20 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-197.18
Dipole, Da:	7.22
IP(EA), eV:	-10.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

C[C@@]12CC3(C[C@@H](O1)C[C@@H]2S(=O)(=O)C4=CC=CC=C4)OCCO3

DOS

IR

Vibrations