Geometry & MOs

Info

ID:

45154

PubChem CID:

10508506

Reduced:

SiO3C18H35 (2)

Stoich.:

AB3C18D35 (2)

Weight, g/mol:

655.440781

ΔHf, kcal/mol:

-455.27

Dipole, Da:

1.42

IP(EA), eV:

 -8.78(1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S,9S,12R,13R,14R,15R)-13-hydroxy-6-[(1R)-1-hydroxyethyl]-12,14-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-15-tridecyl-1-oxa-4,7,10-triazacyclopentadec-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC[C@H]1CCC[C@]2(O1)[C@@]3(CCC[C@@H](O3)CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]4CCCC[C@@H]4O2

DOS

IR

Vibrations