Geometry & MOs

Info

ID:	38946
PubChem CID:	8138216
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	1.93
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations