Geometry & MOs

Info

ID:	236357
PubChem CID:	92712529
Reduced:	N3O7H17C19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	399.10665
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	4.22
IP(EA), eV:	-8.94(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations