Geometry & MOs

Info

ID:	236427
PubChem CID:	92712819
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	413.1223
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	6.43
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations