Geometry & MOs

Info

ID:

325599

PubChem CID:

126684132

Reduced:

N4O9C39H58 (1)

Stoich.:

A4B9C39D58 (1)

Weight, g/mol:

838.493938

ΔHf, kcal/mol:

-215.71

Dipole, Da:

10.99

IP(EA), eV:

 -8.6(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6R,7R,9R,11E,13E,15R,16R)-6-[(2R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-7-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Drug info:

PubChemData

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DOS

IR

Vibrations