Geometry & MOs

Info

ID:

173370

PubChem CID:

75629536

Reduced:

NO8C23H35 (1)

Stoich.:

AB8C23D35 (1)

Weight, g/mol:

1662.581857

ΔHf, kcal/mol:

-144.63

Dipole, Da:

3.88

IP(EA), eV:

-9.24(0.24)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

[[5-(2-amino-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 1-[3-[2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+)

Drug info:

PubChemData

Smile

COC1CCC2(C=[N+](C3C14C2C(C3(C5(CC(C6CC4C5C6OC)OC)O)O)OC)[O-])CO

DOS

IR

Vibrations