Geometry & MOs

Info

ID:	360589
PubChem CID:	127301234
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	1.6
Dipole, Da:	2.32
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-cyclopropyl-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations