Geometry & MOs

Info

ID:	161773
PubChem CID:	57392606
Reduced:	BrFN5O5H13C15 (1)
Stoich.:	ABC5D5E13F15 (1)
Weight, g/mol:	521.227434
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	3.5
IP(EA), eV:	-9.83(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[6-[[(2R)-2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)COCCOC2=NOC(=C2)C3=NN(N=N3)CC(=O)O)Br

DOS

IR

Vibrations