Geometry & MOs

Info

ID:	83854
PubChem CID:	49861856
Reduced:	FSN2O3C22H39 (1)
Stoich.:	ABC2D3E22F39 (1)
Weight, g/mol:	470.230069
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	4.83
IP(EA), eV:	-8.75(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-fluorocyclohexyl)-6-methylsulfanyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCC2C(C1)C(CC2C3CCC(CC3)F)N4CCN(CC4)CCO

DOS

IR

Vibrations