Geometry & MOs

Info

ID:	180312
PubChem CID:	76613701
Reduced:	SN4O5C29H32 (1)
Stoich.:	AB4C5D29E32 (1)
Weight, g/mol:	399.95337
ΔH_f, kcal/mol:	-129.32
Dipole, Da:	3.54
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipotassium;5-(5-methyl-4-methylperoxysulfanylpyrazol-1-yl)benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCC3=CC=CC=C3)NC(=O)C4=CC=CC=N4)C5=CC=CC=C51

DOS

IR

Vibrations