Geometry & MOs

Info

ID:	324274
PubChem CID:	126677284
Reduced:	ClNF3O3H11C15 (1)
Stoich.:	ABC3D3E11F15 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-260.5
Dipole, Da:	3.89
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(5-chloro-2-hydroxy-4-methylphenyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C(=O)N)OC(F)(F)F)O

DOS

IR

Vibrations