Geometry & MOs

Info

ID:	172948
PubChem CID:	75575767
Reduced:	CdN2S2O4C6H12 (1)
Stoich.:	AB2C2D4E6F12 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	5.25
IP(EA), eV:	-8.44(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 3-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C(C(C(=O)O)N)[S-].C(C(C(=O)O)N)[S-].[Cd+2]

DOS

IR

Vibrations