Geometry & MOs

Info

ID:	379710
PubChem CID:	134460004
Reduced:	FNO2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	414.122258
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	9.63
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-(imidazo[4,5-b]pyridin-1-ylmethylsulfanylmethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CN3C4=C(C=C3C2=CC1=O)C(=CC=C4)OCC(F)F)C(C)(C)C

DOS

IR

Vibrations