Geometry & MOs

Info

ID:	291115
PubChem CID:	111677904
Reduced:	FSN3O3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	486.0928
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	8.52
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCS(=O)(=O)CC1=CC=CC=C1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations