Geometry & MOs

Info

ID:	213937
PubChem CID:	81065570
Reduced:	SN2O4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-161.47
Dipole, Da:	8.78
IP(EA), eV:	-10.42(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,4-dimethylphenyl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations