Geometry & MOs

Info

ID:

229764

PubChem CID:

87568854

Reduced:

BrO4F7N8H20C25 (1)

Stoich.:

AB4C7D8E20F25 (1)

Weight, g/mol:

441.115226

ΔHf, kcal/mol:

-370.26

Dipole, Da:

10.09

IP(EA), eV:

 -9.19(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen sulfate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C5=C(C=CC(=N5)Br)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations