Geometry & MOs

Info

ID:	213927
PubChem CID:	81065558
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	289.109627
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	7.96
IP(EA), eV:	-10.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations