Geometry & MOs

Info

ID:	201002
PubChem CID:	79472453
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	4.19
IP(EA), eV:	-8.23(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)C(=O)C2=C(C=CC(=C2)OC)N

DOS

IR

Vibrations