Geometry & MOs

Info

ID:	280186
PubChem CID:	103847395
Reduced:	BrSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	286.0027
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	3.94
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylsulfanyl]-2-methyloxolane

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations