Geometry & MOs

Info

ID:	236400
PubChem CID:	92712714
Reduced:	NO3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	346.046882
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)COC2=CC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)OC(=O)C)OC

DOS

IR

Vibrations