Geometry & MOs

Info

ID:	34205
PubChem CID:	7890279
Reduced:	BrN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	415.103142
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	3.06
IP(EA), eV:	-9.47(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations