Geometry & MOs

Info

ID:

441757

PubChem CID:

135243472

Reduced:

FN3O5C21H24 (1)

Stoich.:

AB3C5D21E24 (1)

Weight, g/mol:

686.278585

ΔHf, kcal/mol:

-197.58

Dipole, Da:

6.56

IP(EA), eV:

 -9.0(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)[C@@H]1CN(C(=O)[C@H]1NC(=O)NC2=CC=C(C=C2)F)CC(=O)O)/OC

DOS

IR

Vibrations