Geometry & MOs

Info

ID:

393252

PubChem CID:

135019885

Reduced:

IO2N3H26C32 (1)

Stoich.:

AB2C3D26E32 (1)

Weight, g/mol:

356.131862

ΔHf, kcal/mol:

101.11

Dipole, Da:

6.49

IP(EA), eV:

 -8.8(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(2R)-2-[(2S,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C\2/C(N(C(=NCC3=CC=CC=C3)O2)CC4=CC=CC=C4)C5=CC=C(C=C5)C#N)/I

DOS

IR

Vibrations