Geometry & MOs

Info

ID:	22780
PubChem CID:	598697
Reduced:	BrOSH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	267.95575
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	0.92
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-thiatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-7-ol

Drug info:

PubChemData

Smile

C1CC2=C(SC3=CC=CC(=C23)C1O)Br

DOS

IR

Vibrations