Geometry & MOs

Info

ID:	357719
PubChem CID:	127294393
Reduced:	S2N3O4C16H31 (1)
Stoich.:	A2B3C4D16E31 (1)
Weight, g/mol:	356.168225
ΔH_f, kcal/mol:	-187.51
Dipole, Da:	7.86
IP(EA), eV:	-8.78(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-4-[(1-methylpiperidin-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations