Geometry & MOs

Info

ID:

16849

PubChem CID:

477598

Reduced:

NO20C41H47 (1)

Stoich.:

AB20C41D47 (1)

Weight, g/mol:

873.269143

ΔHf, kcal/mol:

-820.67

Dipole, Da:

3.64

IP(EA), eV:

 -9.99(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,13R,14R,17S,18R,19R,20R,21S,22R,23R,24R)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C=NC=C2)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)OC(=O)[C@]1(C)O)OC(=O)C)OC(=O)C)COC(=O)C6=COC=C6)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations