Geometry & MOs

Info

ID:	236435
PubChem CID:	92712951
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	5.56
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN([C@H](O2)COC3=C(C=C(C=C3)Cl)C)C(=O)C

DOS

IR

Vibrations