Geometry & MOs

Info

ID:	236359
PubChem CID:	92712532
Reduced:	IN3O6H12C17 (1)
Stoich.:	AB3C6D12E17 (1)
Weight, g/mol:	447.143035
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	8.83
IP(EA), eV:	-8.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4,5-dimethoxy-2-nitrophenyl)-5-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2I)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

DOS

IR

Vibrations