Geometry & MOs

Info

ID:	213827
PubChem CID:	81065161
Reduced:	Cl2N2O3C11H14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	331.02193
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	3.6
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-bromo-5-fluorobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=C(N1)Cl)Cl

DOS

IR

Vibrations