Geometry & MOs

Info

ID:

7260

PubChem CID:

71757

Reduced:

NO13C37H61 (1)

Stoich.:

AB13C37D61 (1)

Weight, g/mol:

727.414291

ΔHf, kcal/mol:

-543.26

Dipole, Da:

6.31

IP(EA), eV:

 -8.73(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3R,8S,9S,10S,12R,16R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

Drug info:

PubChemData

Smile

CC[C@@H]1[C@]([C@H]2[C@H](O2)C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O

DOS

IR

Vibrations