Geometry & MOs

Info

ID:	326450
PubChem CID:	126687583
Reduced:	Br2O2N3H11C17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	265.080636
ΔH_f, kcal/mol:	33.5
Dipole, Da:	2.77
IP(EA), eV:	-9.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-5-[2-(propyldisulfanyl)ethylamino]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)C#N)C(=O)C3=CC(=C(C(=C3)Br)O)Br

DOS

IR

Vibrations