Geometry & MOs

Info

ID:	151595
PubChem CID:	55161580
Reduced:	ClSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	304.033621
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	5.87
IP(EA), eV:	-9.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroprop-1-ynyl)-4-fluoro-1-(3-methylsulfonylpropoxy)benzene

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCOC1=CC=CC=C1C#CCCl

DOS

IR

Vibrations