Geometry & MOs

Info

ID:	151656
PubChem CID:	56261005
Reduced:	BrCl2N2O3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	363.154269
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	2.61
IP(EA), eV:	-9.83(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=C(C=C1)Br)NC(=O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations