Geometry & MOs

Info

ID:	236349
PubChem CID:	92712471
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	4.54
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations