Geometry & MOs

Info

ID:

43885

PubChem CID:

10321929

Reduced:

SO5C26H34 (1)

Stoich.:

AB5C26D34 (1)

Weight, g/mol:

458.324354

ΔHf, kcal/mol:

-184.29

Dipole, Da:

5.05

IP(EA), eV:

 -9.4(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hexadecanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations