Geometry & MOs

Info

ID:	291186
PubChem CID:	111908156
Reduced:	IS2N3O3C12H24 (1)
Stoich.:	AB2C3D3E12F24 (1)
Weight, g/mol:	486.07733
ΔH_f, kcal/mol:	-136.49
Dipole, Da:	3.0
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(3-methylsulfonylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCSC1)O)NC2CCS(=O)(=O)C2.I

DOS

IR

Vibrations