Geometry & MOs

Info

ID:	48934
PubChem CID:	11528493
Reduced:	SN2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	190.081622
ΔH_f, kcal/mol:	61.21
Dipole, Da:	5.14
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6,7,8,9-hexahydrobenzo[g][2]benzothiole

Drug info:

PubChemData

Smile

C1CC(=S)NN=C1C2=CC=CC=C2

DOS

IR

Vibrations