Geometry & MOs

Info

ID:	236388
PubChem CID:	92712643
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	369.096085
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	4.35
IP(EA), eV:	-9.17(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-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