Geometry & MOs

Info

ID:

186522

PubChem CID:

77442109

Reduced:

FN2O4C18H21 (1)

Stoich.:

AB2C4D18E21 (1)

Weight, g/mol:

509.21084

ΔHf, kcal/mol:

-144.3

Dipole, Da:

4.39

IP(EA), eV:

 -9.29(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-5-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)COC)OCC2(CC2C(=O)O)C3CC(=CC=C3)F

DOS

IR

Vibrations