Geometry & MOs

Info

ID:	398861
PubChem CID:	135035874
Reduced:	SO5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	468.196815
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	3.23
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1C(=O)OC)SCC2O)O

DOS

IR

Vibrations