Geometry & MOs

Info

ID:	127493
PubChem CID:	51004213
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	220.092186
ΔH_f, kcal/mol:	-192.94
Dipole, Da:	2.5
IP(EA), eV:	-10.07(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-8,11,11-trimethyl-12-oxa-9-thiatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

COCO[C@@H]1[C@@H]2CC(=O)[C@H]([C@@H]1O)O2

DOS

IR

Vibrations