Geometry & MOs

Info

ID:	32699
PubChem CID:	7847196
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	367.037813
ΔH_f, kcal/mol:	28.57
Dipole, Da:	4.45
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@@H](C)C#N)C3=CC=CC=C3

DOS

IR

Vibrations