Geometry & MOs

Info

ID:	236389
PubChem CID:	92712644
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations