Geometry & MOs

Info

ID:	34278
PubChem CID:	7890610
Reduced:	BrFO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	4.98
IP(EA), eV:	-9.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)O

DOS

IR

Vibrations