Geometry & MOs

Info

ID:

15439

PubChem CID:

442078

Reduced:

O9C19H22 (1)

Stoich.:

A9B19C22 (1)

Weight, g/mol:

394.126382

ΔHf, kcal/mol:

-261.65

Dipole, Da:

3.12

IP(EA), eV:

 -10.53(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3[C@@H]([C@@H]4[C@]5(O4)[C@H](OC(=O)C=C5[C@]3([C@@H]6[C@H]([C@@H]1O)O6)C)[C@@](C)(CO)O)OC2=O

DOS

IR

Vibrations