Geometry & MOs

Info

ID:	236399
PubChem CID:	92712705
Reduced:	Cl2N3O5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	434.147786
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	2.83
IP(EA), eV:	-9.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@]2(N(N=C(O2)COC3=C(C=C(C=C3)Cl)Cl)C(=O)C)C)[N+](=O)[O-]

DOS

IR

Vibrations