Geometry & MOs

Info

ID:	144111
PubChem CID:	53313458
Reduced:	FeSF3N4O5C15H25 (1)
Stoich.:	ABC3D4E5F15G25 (1)
Weight, g/mol:	359.137375
ΔH_f, kcal/mol:	-306.03
Dipole, Da:	15.47
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CN1CCN(CCN(CC1)CC2=CC=CC=N2)C.C(F)(F)(F)S(=O)(=O)[O-].[OH-].[O-2].[Fe+5]

DOS

IR

Vibrations