Geometry & MOs

Info

ID:	291019
PubChem CID:	111677794
Reduced:	FS2O3N4C19H27 (1)
Stoich.:	AB2C3D4E19F27 (1)
Weight, g/mol:	447.09314
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	9.71
IP(EA), eV:	-9.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(S1)S(=O)(=O)N(C)C)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations