Geometry & MOs

Info

ID:	389700
PubChem CID:	134994525
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	268.04965
ΔH_f, kcal/mol:	-10.11
Dipole, Da:	6.26
IP(EA), eV:	-7.96(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-tert-butylsulfinylhexane

Drug info:

PubChemData

Smile

C/C(=C(\C)/CS(=O)C)/CNC1=CC=CC=C1

DOS

IR

Vibrations