Geometry & MOs

Info

ID:

18096

PubChem CID:

538074

Reduced:

SO6C36H54 (1)

Stoich.:

AB6C36D54 (1)

Weight, g/mol:

614.364111

ΔHf, kcal/mol:

-329.74

Dipole, Da:

6.91

IP(EA), eV:

 -9.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,9,13-trimethyl-6-[3-methyl-4-(4-methylphenyl)sulfonyloxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl] acetate

Drug info:

PubChemData

Smile

CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)OC(=O)C)C)C)CCC(C)COS(=O)(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations