Geometry & MOs

Info

ID:	291051
PubChem CID:	111677828
Reduced:	FSO2N4C22H29 (1)
Stoich.:	ABC2D4E22F29 (1)
Weight, g/mol:	542.12239
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	6.6
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations