Geometry & MOs

Info

ID:	366154
PubChem CID:	127319563
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	329.140927
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	6.69
IP(EA), eV:	-9.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations