Geometry & MOs

Info

ID:	68221
PubChem CID:	46507989
Reduced:	OSN7C23H25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	494.02014
ΔH_f, kcal/mol:	81.08
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-5-methyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations