Geometry & MOs

Info

ID:

59666

PubChem CID:

24892761

Reduced:

SeO5N6C15H23 (1)

Stoich.:

AB5C6D15E23 (1)

Weight, g/mol:

511.086931

ΔHf, kcal/mol:

-138.0

Dipole, Da:

4.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767693

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C[Se+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations