Geometry & MOs

Info

ID:	277132
PubChem CID:	103826901
Reduced:	BrClN3O3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	361.00803
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	1.42
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromo-5-chlorobenzoyl)-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)CN1C=C(C=N1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations