Geometry & MOs

Info

ID:	388268
PubChem CID:	134988669
Reduced:	ClSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	216.082016
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	6.6
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,6R)-3,4,6-trimethyl-1-oxo-2,5-dihydrothiopyran-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CS(=C(C(=O)OC)C(=O)OC)C(=C1)Cl

DOS

IR

Vibrations