Geometry & MOs

Info

ID:	399389
PubChem CID:	135039981
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	220.07693
ΔH_f, kcal/mol:	-128.11
Dipole, Da:	1.97
IP(EA), eV:	-9.0(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4aS,7R)-3-methyl-1,1-dioxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[c]oxathiin-7-ol

Drug info:

PubChemData

Smile

CC1=C[C@]2(CCCC[C@]2(O1)CCC=C)C(=O)OC

DOS

IR

Vibrations