Geometry & MOs

Info

ID:	236416
PubChem CID:	92712784
Reduced:	ClN3O4H16C22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	422.96215
ΔH_f, kcal/mol:	13.02
Dipole, Da:	4.39
IP(EA), eV:	-9.31(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations