Geometry & MOs

Info

ID:	21376
PubChem CID:	588054
Reduced:	B2N4O7C17H24 (1)
Stoich.:	A2B4C7D17E24 (1)
Weight, g/mol:	418.18311
ΔH_f, kcal/mol:	-383.98
Dipole, Da:	7.78
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-ethyl-6-(2-ethyl-1,3,2-dioxaborolan-4-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

B1(OCC(O1)C2C3C(C(O2)N4C=NC5=C4N(C(=O)N(C5=O)C)C)OB(O3)CC)CC

DOS

IR

Vibrations