Geometry & MOs

Info

ID:	46026
PubChem CID:	10520564
Reduced:	SO7C14H20 (1)
Stoich.:	AB7C14D20 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-271.5
Dipole, Da:	5.85
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4S,6R,7R,9S,10R,11R)-1-benzyl-3,7-dimethoxy-9-methyl-2,8,12-trioxatetracyclo[7.2.1.04,11.06,10]dodecane

Drug info:

PubChemData

Smile

COC(C[C@H]([C@@H]1COS(=O)(=O)O1)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations