Geometry & MOs

Info

ID:	70129
PubChem CID:	47208030
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	2.55
IP(EA), eV:	-8.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations