Geometry & MOs

Info

ID:	51527
PubChem CID:	12014210
Reduced:	SO3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	5.64
IP(EA), eV:	-9.16(-0.6)
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] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]3[C@H]([C@@H]2C4=CC=CC=C34)C=C

DOS

IR

Vibrations