Geometry & MOs

Info

ID:	290958
PubChem CID:	111677720
Reduced:	FSO3N4C17H29 (1)
Stoich.:	ABC3D4E17F29 (1)
Weight, g/mol:	510.10403
ΔH_f, kcal/mol:	-146.94
Dipole, Da:	7.66
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)CCCNC(=NC)NCC(C)OC1=CC=C(C=C1)F

DOS

IR

Vibrations