Geometry & MOs

Info

ID:	384897
PubChem CID:	134977893
Reduced:	PF3N5O8C12H12 (1)
Stoich.:	AB3C5D8E12F12 (1)
Weight, g/mol:	425.013766
ΔH_f, kcal/mol:	-429.18
Dipole, Da:	15.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809797
Charge, e:	-2

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 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(F)(F)F)O)O)N

DOS

IR

Vibrations