Geometry & MOs

Info

ID:	35847
PubChem CID:	7980399
Reduced:	ClNF3O3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-235.68
Dipole, Da:	1.48
IP(EA), eV:	-9.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)/C=C/C2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations