Geometry & MOs

Info

ID:	339164
PubChem CID:	127260543
Reduced:	PF2N5O6C11H14 (1)
Stoich.:	AB2C5D6E11F14 (1)
Weight, g/mol:	265.081104
ΔH_f, kcal/mol:	-354.98
Dipole, Da:	2.69
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5Z)-2-(6-aminopurin-9-yl)-5-(hydroxymethylidene)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)C(F)(F)P(=O)(O)O)O)N

DOS

IR

Vibrations