Geometry & MOs

Info

ID:	318419
PubChem CID:	126651251
Reduced:	ClNF3O5C20H21 (1)
Stoich.:	ABC3D5E20F21 (1)
Weight, g/mol:	311.136887
ΔH_f, kcal/mol:	-342.3
Dipole, Da:	2.84
IP(EA), eV:	-8.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)O)N1C=C(C(=CC1=O)C2=C(C=CC(=C2)Cl)OCC(F)(F)F)OC

DOS

IR

Vibrations