Geometry & MOs

Info

ID:	289469
PubChem CID:	104356445
Reduced:	BrOCl2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	304.94543
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	5.43
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-2-chlorobenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C(=O)NC2=C(C=CC(=C2)N)Cl

DOS

IR

Vibrations