Geometry & MOs

Info

ID:	34066
PubChem CID:	7889680
Reduced:	Br2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	400.98744
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	1.99
IP(EA), eV:	-9.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-bromobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations