Geometry & MOs

Info

ID:	139249
PubChem CID:	52497595
Reduced:	SN3O4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	360.015384
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	5.4
IP(EA), eV:	-8.37(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-1-[[(R)-3-(4-fluorophenoxy)propylsulfinyl]methyl]benzene

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C[C@H]2CCCO2)CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations