Geometry & MOs

Info

ID:	51526
PubChem CID:	12014209
Reduced:	SO3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	340.113316
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	6.0
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,8R,9S,11R)-11-ethenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2[C@H]3[C@@H]2[C@@H]4C[C@H]3C5=CC=CC=C45

DOS

IR

Vibrations