Geometry & MOs

Info

ID:	22560
PubChem CID:	597732
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	228.082016
ΔH_f, kcal/mol:	-144.34
Dipole, Da:	5.24
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-4-oxo-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C2(C1CCC2=O)C(=O)OC)S

DOS

IR

Vibrations