Geometry & MOs

Info

ID:	290966
PubChem CID:	111677729
Reduced:	FIOSN6C22H34 (1)
Stoich.:	ABCDE6F22G34 (1)
Weight, g/mol:	540.06454
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	5.66
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCC1=NN=C(N1C2CCCC2)SC)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations