Geometry & MOs

Info

ID:	38894
PubChem CID:	8138126
Reduced:	SN4O5H16C17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	5.89
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations