Geometry & MOs

Info

ID:	236407
PubChem CID:	92712762
Reduced:	N2O3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	409.023226
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	8.68
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(3,5-dichloro-2-methoxyphenyl)-2-(4-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)N(C)C)[N+](=O)[O-])C3=CC=CC=C3OC(=O)C

DOS

IR

Vibrations