Geometry & MOs

Info

ID:

325276

PubChem CID:

126682447

Reduced:

NO9C43H53 (1)

Stoich.:

AB9C43D53 (1)

Weight, g/mol:

562.201004

ΔHf, kcal/mol:

-319.55

Dipole, Da:

5.93

IP(EA), eV:

 -9.41(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-acetamido-2,3,4,5-tetrahydroxypentyl)-5-oxo-2H-furan-4-yl] 4,7-dihydroxy-3-(hydroxymethyl)-6-(prop-1-en-2-ylamino)-2,9-dioxabicyclo[3.3.1]nonane-1-carboxylate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(C)(C)[C@H](C(=O)NCCC(=O)O)OC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2OC(=O)C

DOS

IR

Vibrations