Geometry & MOs

Info

ID:	236392
PubChem CID:	92712671
Reduced:	ClN3O6H14C18 (1)
Stoich.:	AB3C6D14E18 (1)
Weight, g/mol:	403.057113
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	3.77
IP(EA), eV:	-9.21(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=CC=C2OC(=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations