Geometry & MOs

Info

ID:	213936
PubChem CID:	81065569
Reduced:	BrSN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	262.098728
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	5.74
IP(EA), eV:	-10.19(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations