Geometry & MOs

Info

ID:	365682
PubChem CID:	127318407
Reduced:	SO4N5C17H25 (1)
Stoich.:	AB4C5D17E25 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	11.03
IP(EA), eV:	-9.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCC(CC2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations