Geometry & MOs

Info

ID:

229120

PubChem CID:

87567000

Reduced:

FSO3N5C20H22 (1)

Stoich.:

ABC3D5E20F22 (1)

Weight, g/mol:

520.059438

ΔHf, kcal/mol:

-29.06

Dipole, Da:

4.94

IP(EA), eV:

 -9.19(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] dihydrogen phosphate;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(N=N4)CC(=O)O)/C3)S

DOS

IR

Vibrations