Geometry & MOs

Info

ID:	11084
PubChem CID:	110832
Reduced:	ClS2N4O7H15C20 (1)
Stoich.:	AB2C4D7E15F20 (1)
Weight, g/mol:	522.007069
ΔH_f, kcal/mol:	-142.44
Dipole, Da:	6.93
IP(EA), eV:	-9.43(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=C(C=CC(=C4)S(=O)(=O)O)Cl

DOS

IR

Vibrations