Geometry & MOs

Info

ID:	10631
PubChem CID:	105807
Reduced:	SCl3N4O4H11C16 (1)
Stoich.:	AB3C4D4E11F16 (1)
Weight, g/mol:	459.956659
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	8.76
IP(EA), eV:	-9.57(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl

DOS

IR

Vibrations