Geometry & MOs

Info

ID:	3096
PubChem CID:	9151
Reduced:	SH10C16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	234.050321
ΔH_f, kcal/mol:	68.61
Dipole, Da:	1.14
IP(EA), eV:	-8.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3

DOS

IR

Vibrations