Geometry & MOs

Info

ID:	434124
PubChem CID:	135174282
Reduced:	FPSO4N6C9H12 (1)
Stoich.:	ABCD4E6F9G12 (1)
Weight, g/mol:	350.036239
ΔH_f, kcal/mol:	-201.62
Dipole, Da:	3.9
IP(EA), eV:	-9.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S)-5-(dihydroxyphosphinothioyloxymethyl)-3-fluorooxolan-2-yl]triazolo[4,5-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1[C@@H](C(OC1COP(=S)(O)O)N2C3=NC=NC(=C3N=N2)N)F

DOS

IR

Vibrations