Geometry & MOs

Info

ID:	291124
PubChem CID:	111677924
Reduced:	FSO3N4C15H25 (1)
Stoich.:	ABC3D4E15F25 (1)
Weight, g/mol:	528.13975
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	5.2
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCCNC(=NC)NCC(C)OC1=CC=C(C=C1)F

DOS

IR

Vibrations