Geometry & MOs

Info

ID:	291153
PubChem CID:	111678050
Reduced:	FSO3N4C14H23 (1)
Stoich.:	ABC3D4E14F23 (1)
Weight, g/mol:	557.17753
ΔH_f, kcal/mol:	-135.7
Dipole, Da:	6.06
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCNS(=O)(=O)C)OC1=CC=C(C=C1)F

DOS

IR

Vibrations