Geometry & MOs

Info

ID:	22465
PubChem CID:	597315
Reduced:	SC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	222.053693
ΔH_f, kcal/mol:	26.73
Dipole, Da:	1.96
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCCCSC1=CC2=CC=CC=C2S1

DOS

IR

Vibrations