Geometry & MOs

Info

ID:	277498
PubChem CID:	103829016
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	364.02564
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	6.63
IP(EA), eV:	-9.39(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCCC(C2)C(C)N

DOS

IR

Vibrations