Geometry & MOs

Info

ID:	291039
PubChem CID:	111677814
Reduced:	FSN3O3C22H30 (1)
Stoich.:	ABC3D3E22F30 (1)
Weight, g/mol:	478.1241
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[N-ethyl-N'-[2-(4-fluorophenoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations