Geometry & MOs

Info

ID:	186189
PubChem CID:	77400777
Reduced:	FSO3N4C11H13 (1)
Stoich.:	ABC3D4E11F13 (1)
Weight, g/mol:	324.089226
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	1.21
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-amino-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C=C1N(C2=NC(=NC=C2S1)N)C3C(C(C(O3)CO)F)O

DOS

IR

Vibrations