Geometry & MOs

Info

ID:	16313
PubChem CID:	464025
Reduced:	ClFO2N5H9C10 (1)
Stoich.:	ABC2D5E9F10 (1)
Weight, g/mol:	285.04288
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	6.51
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]methanol

Drug info:

PubChemData

Smile

C1=C([C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)N)F

DOS

IR

Vibrations