Geometry & MOs

Info

ID:	23573
PubChem CID:	604710
Reduced:	OSH8C11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	188.029586
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	3.4
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-5-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=CSC3=CC=CC1=C32

DOS

IR

Vibrations