Geometry & MOs

Info

ID:	407349
PubChem CID:	135079896
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	649.278559
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	4.71
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-9-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C(=C\NC(=O)N)/C#N

DOS

IR

Vibrations