Geometry & MOs

Info

ID:	204988
PubChem CID:	80039644
Reduced:	BrS2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	192.100643
ΔH_f, kcal/mol:	8.65
Dipole, Da:	1.27
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(propylsulfanylmethyl)butane-1-thiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCCCCS)Br

DOS

IR

Vibrations