Geometry & MOs

Info

ID:	388366
PubChem CID:	134988932
Reduced:	SO3C7H10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	214.102751
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	6.87
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,6R)-3,4,6-trimethyl-1-oxo-2,5-dihydrothiopyran-6-yl]propan-1-one

Drug info:

PubChemData

Smile

C/C(=C(\C)/C(=S(=O)=O)C)/C=O

DOS

IR

Vibrations