Geometry & MOs

Info

ID:	355800
PubChem CID:	127290652
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	339.116524
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	1.81
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations