Geometry & MOs

Info

ID:	6201
PubChem CID:	67474
Reduced:	SH8C12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	184.034671
ΔH_f, kcal/mol:	57.19
Dipole, Da:	0.81
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[e][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CS3

DOS

IR

Vibrations