Geometry & MOs

Info

ID:

47300

PubChem CID:

10531327

Reduced:

NO4C36H71 (1)

Stoich.:

AB4C36D71 (1)

Weight, g/mol:

582.15847

ΔHf, kcal/mol:

-329.32

Dipole, Da:

3.9

IP(EA), eV:

 -9.77(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)C)[C@@H](CCCCCCCCCCCCC)O

DOS

IR

Vibrations