Geometry & MOs

Info

ID:	174743
PubChem CID:	75808279
Reduced:	ClFOSN3H11C21 (1)
Stoich.:	ABCDE3F11G21 (1)
Weight, g/mol:	333.14483
ΔH_f, kcal/mol:	47.23
Dipole, Da:	3.29
IP(EA), eV:	-9.52(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-difluoro-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(S2)C=C(C#N)C3=NC(=O)C4=C(N3)C=C(C=C4)Cl)F

DOS

IR

Vibrations