Geometry & MOs

Info

ID:	22466
PubChem CID:	597316
Reduced:	SC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	222.053693
ΔH_f, kcal/mol:	25.92
Dipole, Da:	2.23
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropylsulfanyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)CSC1=CC2=CC=CC=C2S1

DOS

IR

Vibrations