Geometry & MOs

Info

ID:	385222
PubChem CID:	134978565
Reduced:	PN3O8C12H20 (1)
Stoich.:	AB3C8D12E20 (1)
Weight, g/mol:	624.80314
ΔH_f, kcal/mol:	-413.35
Dipole, Da:	6.8
IP(EA), eV:	-9.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(NC3=O)N)COP(=O)(O)O)C

DOS

IR

Vibrations