Geometry & MOs

Info

ID:	314824
PubChem CID:	126623533
Reduced:	BrN3O4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	285.020414
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	3.39
IP(EA), eV:	-9.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(3-chloro-2-fluorophenyl)acetyl]-4-oxoazetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CC1=O)C(=O)O)C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations