Geometry & MOs

Info

ID:	385223
PubChem CID:	134978568
Reduced:	PBr3N5O8C12H13 (1)
Stoich.:	AB3C5D8E12F13 (1)
Weight, g/mol:	426.042644
ΔH_f, kcal/mol:	-320.44
Dipole, Da:	4.33
IP(EA), eV:	-9.39(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (2,2,2-trifluoroacetyl) 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)OC(=O)C(Br)(Br)Br)O)O)N

DOS

IR

Vibrations