Geometry & MOs

Info

ID:	399171
PubChem CID:	135038435
Reduced:	FSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	212.96397
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	3.43
IP(EA), eV:	-9.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;4-azaspiro[2.4]hept-4-en-5-olate;bromide

Drug info:

PubChemData

Smile

C1[C@H](SC(C1F)O)COCC2=CC=CC=C2

DOS

IR

Vibrations