Geometry & MOs

Info

ID:

11934

PubChem CID:

124030

Reduced:

NO19C41H47 (1)

Stoich.:

AB19C41D47 (1)

Weight, g/mol:

857.274228

ΔHf, kcal/mol:

-764.69

Dipole, Da:

8.15

IP(EA), eV:

 -10.18(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations