Geometry & MOs

Info

ID:	127826
PubChem CID:	51018690
Reduced:	SO6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	441.94496
ΔH_f, kcal/mol:	-209.7
Dipole, Da:	6.55
IP(EA), eV:	-9.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4S,5R)-1,4-dibromo-5-hydroxy-7,7-dimethoxy-6-oxo-5-prop-2-enyl-2-bicyclo[2.2.1]heptanyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C[C@H]([C@@H]3CO[C@H]2O3)O

DOS

IR

Vibrations