Geometry & MOs

Info

ID:	307634
PubChem CID:	125307854
Reduced:	BrN2C4H5 (1)
Stoich.:	AB2C4D5 (1)
Weight, g/mol:	762.9165
ΔH_f, kcal/mol:	47.88
Dipole, Da:	2.23
IP(EA), eV:	-10.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy-[[(2S,3R,5S)-3-hydroxy-5-[5-[(4-iodophenyl)methylsulfanyl]imidazo[2,1-f]purin-3-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(=NC=N1)CBr

DOS

IR

Vibrations