Geometry & MOs

Info

ID:	276225
PubChem CID:	103821376
Reduced:	NO3F4C6H7 (1)
Stoich.:	AB3C4D6E7 (1)
Weight, g/mol:	288.97498
ΔH_f, kcal/mol:	-330.17
Dipole, Da:	4.16
IP(EA), eV:	-10.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-bromo-6-fluorobenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)C(C(F)F)(F)F

DOS

IR

Vibrations