Geometry & MOs

Info

ID:

378139

PubChem CID:

134224213

Reduced:

NO6C20H25 (1)

Stoich.:

AB6C20D25 (1)

Weight, g/mol:

566.184685

ΔHf, kcal/mol:

-256.07

Dipole, Da:

1.0

IP(EA), eV:

 -10.07(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (5E)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C1CC(=O)CCC1=O)OC(=O)C2CCCC(C2)CN3C(=O)C=CC3=O

DOS

IR

Vibrations