Geometry & MOs

Info

ID:

84475

PubChem CID:

49866639

Reduced:

PN7O7C16H26 (1)

Stoich.:

AB7C7D16E26 (1)

Weight, g/mol:

643.069305

ΔHf, kcal/mol:

-300.61

Dipole, Da:

2.28

IP(EA), eV:

 -9.11(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3R,4R,5R)-5-[(6R)-6-amino-1,2,3,6-tetrahydropurin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl 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)(NCCCC[C@@H](C=O)N)O)O)O)N

DOS

IR

Vibrations