Geometry & MOs

Info

ID:	204986
PubChem CID:	80039642
Reduced:	OS2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	303.99551
ΔH_f, kcal/mol:	-43.06
Dipole, Da:	3.35
IP(EA), eV:	-8.5(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)sulfanyl-3-methylpentane-1-thiol

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)SCC3(CCOCC3)CS

DOS

IR

Vibrations