Geometry & MOs

Info

ID:	236408
PubChem CID:	92712763
Reduced:	Cl2N3O5H13C17 (1)
Stoich.:	A2B3C5D13E17 (1)
Weight, g/mol:	409.023226
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	6.06
IP(EA), eV:	-9.45(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-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=C(C(=CC(=C2)Cl)Cl)OC)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations