Geometry & MOs

Info

ID:	396467
PubChem CID:	135028495
Reduced:	BrO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	482.122634
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	3.22
IP(EA), eV:	-9.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]ethyl]-3-phenyl-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

C=C(C1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations