Geometry & MOs

Info

ID:	291106
PubChem CID:	111677895
Reduced:	FISN3O3C15H25 (1)
Stoich.:	ABCD3E3F15G25 (1)
Weight, g/mol:	345.152241
ΔH_f, kcal/mol:	-144.99
Dipole, Da:	7.16
IP(EA), eV:	-9.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCS(=O)(=O)C)OC1=CC=C(C=C1)F.I

DOS

IR

Vibrations