Geometry & MOs

Info

ID:	35759
PubChem CID:	7980291
Reduced:	NCl3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	400.998841
ΔH_f, kcal/mol:	-141.34
Dipole, Da:	2.21
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1Cl)Cl)Cl)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations