Geometry & MOs

Info

ID:	11293
PubChem CID:	113344
Reduced:	NaSN2O4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	290.033722
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	7.66
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)[O-])C.[Na+]

DOS

IR

Vibrations