Geometry & MOs

Info

ID:	167099
PubChem CID:	74779765
Reduced:	ClN2O6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	474.0175
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	3.76
IP(EA), eV:	-9.12(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=C(C=CC(=C1)Cl)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations