Geometry & MOs

Info

ID:	434205
PubChem CID:	135174434
Reduced:	PSN4O5C12H15 (1)
Stoich.:	ABC4D5E12F15 (1)
Weight, g/mol:	351.020255
ΔH_f, kcal/mol:	-200.94
Dipole, Da:	15.47
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dihydroxyphosphinothioyloxymethyl)-3-fluorooxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C2CC2C(OC1COP(=S)(O)O)N3C=NC4=C3NC=NC4=O

DOS

IR

Vibrations