Geometry & MOs

Info

ID:	369817
PubChem CID:	127336153
Reduced:	SN2O4C15H28 (1)
Stoich.:	AB2C4D15E28 (1)
Weight, g/mol:	343.136591
ΔH_f, kcal/mol:	-186.75
Dipole, Da:	7.5
IP(EA), eV:	-8.57(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-4-(oxan-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations