Geometry & MOs

Info

ID:	3130
PubChem CID:	9193
Reduced:	SH8C12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	184.034671
ΔH_f, kcal/mol:	56.99
Dipole, Da:	0.64
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[g][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2SC=C3

DOS

IR

Vibrations