Geometry & MOs

Info

ID:	166777
PubChem CID:	74732931
Reduced:	ClSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	458.207981
ΔH_f, kcal/mol:	-5.46
Dipole, Da:	6.98
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-[3-[(4-methoxyphenyl)methylidene]-2-oxocyclopentyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3C(=NC4=NC(=NN24)SCC5=CC=CC=C5Cl)CCCC3=O)O

DOS

IR

Vibrations