Geometry & MOs

Info

ID:	339763
PubChem CID:	127261771
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	312.089226
ΔH_f, kcal/mol:	181.82
Dipole, Da:	1.68
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-methyl-6-methylsulfanylpurin-9-yl)oxolane-3,4-diol

Drug info:

PubChemData

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C1CN2CC=C[C@@H]([C@H]2C3=C1C4=CC=CC=C4N3)C#N

DOS

IR

Vibrations