Geometry & MOs

Info

ID:	229840
PubChem CID:	87569337
Reduced:	ClFN3O3C21H21 (1)
Stoich.:	ABC3D3E21F21 (1)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydrogen sulfite;tetrakis(prop-2-enyl)azanium

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)NC)C2=CC=C(C=C2)C=C(F)Cl

DOS

IR

Vibrations