Geometry & MOs

Info

ID:	218206
PubChem CID:	85089027
Reduced:	FSeO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	439.096183
ΔH_f, kcal/mol:	-163.93
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774005
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[fluoro-(4-methoxyphenyl)sulfonylmethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC12CC(C3(C(C1CC4(C2(O4)C(=O)[Se])C)CCC5=CC(=O)C=CC53C)F)O

DOS

IR

Vibrations