Geometry & MOs

Info

ID:	410800
PubChem CID:	135083601
Reduced:	LiSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	7.32
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-5,5-dimethyl-1-[(4-methylphenyl)methylidene]-4H-pyrazol-1-ium-3-olate

Drug info:

PubChemData

Smile

[Li+].C1CC1C=[C-]S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations