Geometry & MOs

Info

ID:

15543

PubChem CID:

443662

Reduced:

NO14C39H63 (1)

Stoich.:

AB14C39D63 (1)

Weight, g/mol:

769.424856

ΔHf, kcal/mol:

-630.21

Dipole, Da:

6.12

IP(EA), eV:

 -8.78(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-[[(4R,5S,6S,7R,9R,16R)-4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C(C)C)(C)O)N(C)C)O)CC=O)C

DOS

IR

Vibrations