Geometry & MOs

Info

ID:

47332

PubChem CID:

10531645

Reduced:

SO5C36H56 (1)

Stoich.:

AB5C36D56 (1)

Weight, g/mol:

600.351602

ΔHf, kcal/mol:

-218.9

Dipole, Da:

5.4

IP(EA), eV:

 -10.01(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3S,5S,6R,7S,8S,11R,13R,14R,18S)-2,7,13,16,16-pentamethyl-11-[tri(propan-2-yl)silyloxymethyl]-4,15,17-trioxapentacyclo[9.7.0.02,8.03,5.014,18]octadecan-6-yl] methanesulfonate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5C[C@@H](OOC5(C4)O)CS(=O)(=O)C6=CC=CC=C6)C)C

DOS

IR

Vibrations