Geometry & MOs

Info

ID:	236356
PubChem CID:	92712522
Reduced:	NOH5C6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	399.10665
ΔH_f, kcal/mol:	16.94
Dipole, Da:	5.17
IP(EA), eV:	-8.43(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)[C@@H]3N(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C)C5=CC=CC=C51

DOS

IR

Vibrations