Geometry & MOs

Info

ID:	236415
PubChem CID:	92712779
Reduced:	BrN3O6H16C18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	421.082934
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	6.67
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC(=C(C=C2OC)OC)Br)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations