Geometry & MOs

Info

ID:	156797
PubChem CID:	56385677
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	477.089618
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	10.0
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(N2CC3CCCO3)NC(=O)CSC4CCCC5=CC=CC=C45)C#N

DOS

IR

Vibrations