Geometry & MOs

Info

ID:	213940
PubChem CID:	81065573
Reduced:	FNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-212.52
Dipole, Da:	8.93
IP(EA), eV:	-9.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyanoethylsulfonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=C(C=CC(=C1)F)C

DOS

IR

Vibrations