Geometry & MOs

Info

ID:	394961
PubChem CID:	135024284
Reduced:	NSF3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	248.045151
ΔH_f, kcal/mol:	-318.97
Dipole, Da:	2.25
IP(EA), eV:	-9.52(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-chloro-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]2C(=CCC(=O)N2C1)OS(=O)(=O)C(F)(F)F)COCC3=CC=CC=C3

DOS

IR

Vibrations