Geometry & MOs

Info

ID:	291037
PubChem CID:	111677812
Reduced:	FON4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	563.11149
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	2.33
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzylsulfonylpropyl)-3-ethyl-2-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCC2CCN(C2)C3CC3

DOS

IR

Vibrations