Geometry & MOs

Info

ID:	213988
PubChem CID:	81065625
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-92.5
Dipole, Da:	5.18
IP(EA), eV:	-9.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=C(C=N1)C)[N+](=O)[O-]

DOS

IR

Vibrations