Geometry & MOs

Info

ID:	236419
PubChem CID:	92712789
Reduced:	ClN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	359.067284
ΔH_f, kcal/mol:	-18.36
Dipole, Da:	4.55
IP(EA), eV:	-9.28(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2N(N=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations