Geometry & MOs

Info

ID:

59689

PubChem CID:

24893719

Reduced:

NO9C27H43 (1)

Stoich.:

AB9C27D43 (1)

Weight, g/mol:

936.492995

ΔHf, kcal/mol:

-451.38

Dipole, Da:

7.68

IP(EA), eV:

 -8.56(0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2C(C3[C@H]([C@@H]([C@@]4(C(C3CN2C1)C[C@]56C4C(C(C7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O)O)O)O)O)(C)O

DOS

IR

Vibrations