Geometry & MOs

Info

ID:	36833
PubChem CID:	8013469
Reduced:	NCl2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	393.053463
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	4.95
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations