Geometry & MOs

Info

ID:

181514

PubChem CID:

76754851

Reduced:

NSiO15C56H69 (1)

Stoich.:

ABC15D56E69 (1)

Weight, g/mol:

460.173332

ΔHf, kcal/mol:

-592.87

Dipole, Da:

14.15

IP(EA), eV:

 -9.15(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(3,4-dihydroxycyclohex-2-en-1-yl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,4a,5,9,10,10a,10b-octahydro-2H-pyrano[2,3-f]chromen-8-one

Drug info:

PubChemData

Smile

CC1C2=C(C(CC(C2(C)C)(C(C3C(C1=O)(C(CC4C3(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C(C(C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations