Geometry & MOs

Info

ID:	236391
PubChem CID:	92712670
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	403.057113
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	5.28
IP(EA), eV:	-9.32(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-3-acetyl-2-(2-chloro-5-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC[C@]1(N(N=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)C3=CC=C(C=C3)OC(=O)C

DOS

IR

Vibrations