Geometry & MOs

Info

ID:	32711
PubChem CID:	7847259
Reduced:	Cl2N2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-139.67
Dipole, Da:	4.73
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations