Geometry & MOs

Info

ID:	226469
PubChem CID:	87457446
Reduced:	SF3N3O5H18C23 (1)
Stoich.:	AB3C3D5E18F23 (1)
Weight, g/mol:	302.084827
ΔH_f, kcal/mol:	-241.33
Dipole, Da:	7.83
IP(EA), eV:	-9.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-octylimidazol-1-ium;oxoiron;chloride

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C(=C1F)F)N2C(=O)CN(C2=O)CC3=C(C=NC=C3)OCC4=CC=CC=C4)F

DOS

IR

Vibrations