Geometry & MOs

Info

ID:	277473
PubChem CID:	103828833
Reduced:	FSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	364.02564
ΔH_f, kcal/mol:	-183.08
Dipole, Da:	5.59
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)NC2CCNCC2

DOS

IR

Vibrations