Geometry & MOs

Info

ID:	60099
PubChem CID:	26675683
Reduced:	BrO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	440.0484
ΔH_f, kcal/mol:	-1.79
Dipole, Da:	5.86
IP(EA), eV:	-9.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CC2=NC(=NO2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations