Geometry & MOs

Info

ID:	24996
PubChem CID:	616465
Reduced:	SO4N5C16H23 (1)
Stoich.:	AB4C5D16E23 (1)
Weight, g/mol:	381.147075
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	3.91
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)C3C(C(C(O3)CO)O)O)C

DOS

IR

Vibrations