Geometry & MOs

Info

ID:	201050
PubChem CID:	79482414
Reduced:	BrClFNSO2C14H20 (1)
Stoich.:	ABCDEF2G14H20 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	3.27
IP(EA), eV:	-9.68(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

CCC(C)CN(CC)S(=O)(=O)C1=CC(=CC(=C1F)CCl)Br

DOS

IR

Vibrations