Geometry & MOs

Info

ID:	385655
PubChem CID:	134979647
Reduced:	SF2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	356.201901
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	6.26
IP(EA), eV:	-10.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4R)-4-methyl-5-oxo-1-tri(propan-2-yl)silyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@]([C@@H]2F)(F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations