Geometry & MOs

Info

ID:	173562
PubChem CID:	75653364
Reduced:	ClSN3O4H15C25 (1)
Stoich.:	ABC3D4E15F25 (1)
Weight, g/mol:	471.052994
ΔH_f, kcal/mol:	33.33
Dipole, Da:	7.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.534806
Charge, e:	-1

Chem-info

IUPAC name:

4-[[4-(4-chlorophenyl)sulfonyloxyphenyl]-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]-5-methyl-1H-pyrazol-3-olate

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=NNC(=O)C4=CC(=CC=C4)S(=O)(=O)[N-]C5=CC(=CC=C5)Cl)C(=O)C3=CC=C2

DOS

IR

Vibrations