Geometry & MOs

Info

ID:	438589
PubChem CID:	135228333
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	529.261043
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	0.25
IP(EA), eV:	-8.38(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-(tert-butylsulfinylamino)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azaspiro[4.5]decan-2-yl] isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC2(CC1)COC[C@@H]2N

DOS

IR

Vibrations