Geometry & MOs

Info

ID:	406971
PubChem CID:	135079031
Reduced:	SN2F3O5H21C24 (1)
Stoich.:	AB2C3D5E21F24 (1)
Weight, g/mol:	209.01178
ΔH_f, kcal/mol:	-246.29
Dipole, Da:	1.97
IP(EA), eV:	-9.36(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-(3-chlorophenyl)-1-hydroxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

COC/C=C(/C1=CN=CC=C1)\C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations