Geometry & MOs

Info

ID:

233452

PubChem CID:

90944527

Reduced:

NO2S2H4F5C10 (1)

Stoich.:

AB2C2D4E5F10 (1)

Weight, g/mol:

1116.456609

ΔHf, kcal/mol:

-233.46

Dipole, Da:

5.1

IP(EA), eV:

-9.71(-2.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,4R,5R)-2-[[(3S,4R,6S)-4-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-phenylmethoxyoxan-2-yl]oxy-5-hydroxy-6-[(3R,4R,6R)-5-hydroxy-2-(hydroxymethyl)-3,6-bis(phenylmethoxy)oxan-4-yl]oxy-3-phenylmethoxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-phenylmethoxyoxane-3,4-diol

Drug info:

PubChemData

Smile

C(C(=O)NC1=C(C(=C(C(=C1F)F)F)F)F)SC(=O)C=S

DOS

IR

Vibrations