Geometry & MOs

Info

ID:	236429
PubChem CID:	92712846
Reduced:	ClN3O5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	417.03242
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	10.75
IP(EA), eV:	-9.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-acetyl-2-(5-bromopyridin-3-yl)-2H-1,3,4-oxadiazol-5-yl]-4-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2Cl)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations