Geometry & MOs

Info

ID:	399747
PubChem CID:	135042268
Reduced:	BrSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	224.123256
ΔH_f, kcal/mol:	-109.98
Dipole, Da:	2.42
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-3,5-dimethyl-5-(3-trimethylsilylprop-2-ynyl)oxolan-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](OC)SC1=CC=CC=C1)OC(=O)CBr

DOS

IR

Vibrations