Geometry & MOs

Info

ID:

26290

PubChem CID:

643709

Reduced:

OC15H24 (1)

Stoich.:

AB15C24 (1)

Weight, g/mol:

552.184291

ΔHf, kcal/mol:

-42.99

Dipole, Da:

1.98

IP(EA), eV:

 -9.71(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

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CC(C)[C@@H]\1CCC(=C)[C@@H](CCC(=C)/C=C1)O

DOS

IR

Vibrations