Geometry & MOs

Info

ID:	326725
PubChem CID:	126688096
Reduced:	SF2O4N5H15C18 (1)
Stoich.:	AB2C4D5E15F18 (1)
Weight, g/mol:	421.122003
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	8.48
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S,5R)-4-fluoro-5-[6-(2-phenylethyl)purin-9-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)C#CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations