Geometry & MOs

Info

ID:	290956
PubChem CID:	111677718
Reduced:	FON7C24H28 (1)
Stoich.:	ABC7D24E28 (1)
Weight, g/mol:	516.10674
ΔH_f, kcal/mol:	41.17
Dipole, Da:	6.65
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations