Geometry & MOs

Info

ID:	284945
PubChem CID:	104084871
Reduced:	ClSF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	258.084514
ΔH_f, kcal/mol:	-171.44
Dipole, Da:	3.1
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorobutan-2-ylsulfanyl)propoxybenzene

Drug info:

PubChemData

Smile

CC(CCCl)SCC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations