Geometry & MOs

Info

ID:	11058
PubChem CID:	110313
Reduced:	ClKSN5O5H17C23 (1)
Stoich.:	ABCD5E5F17G23 (1)
Weight, g/mol:	549.027599
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	7.32
IP(EA), eV:	-8.58(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4Cl.[K+]

DOS

IR

Vibrations