Geometry & MOs

Info

ID:	436856
PubChem CID:	135212321
Reduced:	NSF2O5H13C17 (1)
Stoich.:	ABC2D5E13F17 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-217.17
Dipole, Da:	5.81
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(O[C@@H](C2=O)C3=C(C(=CC=C3)F)F)N

DOS

IR

Vibrations