Geometry & MOs

Info

ID:

297369

PubChem CID:

117616327

Reduced:

Cl2O4N5F9C27H28 (1)

Stoich.:

A2B4C5D9E27F28 (1)

Weight, g/mol:

358.093368

ΔHf, kcal/mol:

-593.64

Dipole, Da:

5.1

IP(EA), eV:

 -9.12(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S)-6-(hydroxymethyl)-5-[(2R,3S,5R)-3,4,5-trihydroxy-6-(sulfanylmethyl)oxan-2-yl]oxyoxane-2,3,4-triol

Drug info:

PubChemData

Smile

CC(C)N1C2C(=C(N1C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=NC(=N2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations