Geometry & MOs

Info

ID:	438594
PubChem CID:	135228338
Reduced:	SF3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	8.91
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(N=CC=C4)C(F)(F)F

DOS

IR

Vibrations