Geometry & MOs

Info

ID:	140488
PubChem CID:	52708075
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	470.17879
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	5.24
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-4-yl]methyl-(4-methoxy-3-methylphenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C)C

DOS

IR

Vibrations