Geometry & MOs

Info

ID:	277490
PubChem CID:	103828933
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	350.00999
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	4.32
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCCCC2CN

DOS

IR

Vibrations