Geometry & MOs

Info

ID:	249463
PubChem CID:	103089676
Reduced:	BrFNSCl2O2C11H11 (1)
Stoich.:	ABCDE2F2G11H11 (1)
Weight, g/mol:	402.92115
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	4.2
IP(EA), eV:	-10.09(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)CBr

DOS

IR

Vibrations