Geometry & MOs

Info

ID:

424246

PubChem CID:

135121882

Reduced:

OC3H4 (7)

Stoich.:

AB3C4 (7)

Weight, g/mol:

919.250813

ΔHf, kcal/mol:

-257.16

Dipole, Da:

3.41

IP(EA), eV:

 -10.07(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(E)-1-[[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]oxidanium

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C2C(C=C(CC/C=C(\C1OC)/C=O)CO)OC(=O)C2=C

DOS

IR

Vibrations