Geometry & MOs

Info

ID:	278289
PubChem CID:	103834636
Reduced:	NSF3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	366.99115
ΔH_f, kcal/mol:	-255.86
Dipole, Da:	2.79
IP(EA), eV:	-9.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F)O

DOS

IR

Vibrations