Geometry & MOs

Info

ID:	22467
PubChem CID:	597335
Reduced:	SC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	278.116293
ΔH_f, kcal/mol:	8.74
Dipole, Da:	0.81
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCCCCCCCSC1=CC2=CC=CC=C2S1

DOS

IR

Vibrations