Geometry & MOs

Info

ID:

190754

PubChem CID:

78052408

Reduced:

PO10C40H78 (1)

Stoich.:

AB10C40D78 (1)

Weight, g/mol:

718.264392

ΔHf, kcal/mol:

-628.38

Dipole, Da:

8.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759935

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O

DOS

IR

Vibrations