Geometry & MOs

Info

ID:	39193
PubChem CID:	8139894
Reduced:	NCl2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	383.111735
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	6.16
IP(EA), eV:	-9.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1OCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations