Geometry & MOs

Info

ID:	204987
PubChem CID:	80039643
Reduced:	BrS2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	289.97986
ΔH_f, kcal/mol:	3.91
Dipole, Da:	3.22
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)sulfanylpentane-1-thiol

Drug info:

PubChemData

Smile

CC(CCS)CCSC1=CC=C(C=C1)Br

DOS

IR

Vibrations