Geometry & MOs

Info

ID:

339176

PubChem CID:

127260555

Reduced:

BrNa2P2N5C10O10H12 (1)

Stoich.:

AB2C2D5E10F10G12 (1)

Weight, g/mol:

504.93993

ΔHf, kcal/mol:

-614.41

Dipole, Da:

11.85

IP(EA), eV:

 -9.11(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-[6-(bromoamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)[O-])[O-])NBr.[Na+].[Na+]

DOS

IR

Vibrations