Geometry & MOs

Info

ID:

297847

PubChem CID:

117633769

Reduced:

OSCl2N3H7C14 (1)

Stoich.:

ABC2D3E7F14 (1)

Weight, g/mol:

828.311067

ΔHf, kcal/mol:

54.53

Dipole, Da:

3.99

IP(EA), eV:

-9.09(-1.65)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4S,5S)-2-[(3S,4R,6R)-6-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(1R,2S,4R)-2,3,4-trihydroxy-1-(2-hydroxyethoxy)pentoxy]oxan-2-yl]oxymethyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C3=C(C(=CS3)Cl)N=C2Cl)C#N

DOS

IR

Vibrations