Geometry & MOs

Info

ID:	219403
PubChem CID:	85148365
Reduced:	ClSO3N7H14C21 (1)
Stoich.:	ABC3D7E14F21 (1)
Weight, g/mol:	480.064561
ΔH_f, kcal/mol:	112.65
Dipole, Da:	10.22
IP(EA), eV:	-8.49(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[4-[(4-chlorophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]-1,3-thiazol-4-yl]-3-phenyl-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)Cl)C3=NC(=CS3)C4=C(ON=[N+]4C5=CC=CC=C5)[O-]

DOS

IR

Vibrations