Geometry & MOs

Info

ID:	290907
PubChem CID:	111638165
Reduced:	FIO2N4C22H28 (1)
Stoich.:	ABC2D4E22F28 (1)
Weight, g/mol:	532.08052
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	4.87
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCNC(=O)C1=CC(=CC=C1)OC)NCC2(CC2)C3=CC(=CC=C3)F.I

DOS

IR

Vibrations