Geometry & MOs

Info

ID:	213941
PubChem CID:	81065574
Reduced:	SN2O4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	289.109627
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	8.9
IP(EA), eV:	-10.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations