Geometry & MOs

Info

ID:

51215

PubChem CID:

12013855

Reduced:

ClSO4C36H39 (1)

Stoich.:

ABC4D36E39 (1)

Weight, g/mol:

446.177236

ΔHf, kcal/mol:

-62.84

Dipole, Da:

7.04

IP(EA), eV:

 -8.12(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(1S,2R,3S,4R)-3-(2,2-dimethylpropoxy)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-ethenyl-methyl-lambda4-sulfanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C=CS1([C@H]([C@H]([C@@H]([C@@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)Cl

DOS

IR

Vibrations