Geometry & MOs

Info

ID:	127601
PubChem CID:	51008235
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	324.103145
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	2.55
IP(EA), eV:	-10.17(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,5'R,7'S)-7'-(benzenesulfonyl)-1'-methylspiro[1,3-dioxolane-2,3'-8-oxabicyclo[3.2.1]octane]

Drug info:

PubChemData

Smile

C=CCCC[C@]12CC(=O)C[C@@H](O1)C=C2

DOS

IR

Vibrations