Geometry & MOs

Info

ID:	138051
PubChem CID:	52304159
Reduced:	SF3N3O5H12C18 (1)
Stoich.:	AB3C3D5E12F18 (1)
Weight, g/mol:	256.170139
ΔH_f, kcal/mol:	-179.3
Dipole, Da:	11.24
IP(EA), eV:	-9.48(-3.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl-methyl-[(2-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)[N-]S(=O)(=O)C3=CC=CC=C3OC(F)(F)F)C(=O)[O-]

DOS

IR

Vibrations