Geometry & MOs

Info

ID:	39490
PubChem CID:	8140988
Reduced:	BrClN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	399.098584
ΔH_f, kcal/mol:	-82.81
Dipole, Da:	3.78
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations