Geometry & MOs

Info

ID:	434132
PubChem CID:	135174291
Reduced:	P2S2O9N10C20H26 (1)
Stoich.:	A2B2C9D10E20F26 (1)
Weight, g/mol:	380.046804
ΔH_f, kcal/mol:	-376.81
Dipole, Da:	11.12
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[(5S)-5-(dihydroxyphosphinothioyloxymethyl)-5-(fluoromethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)OC2CC(OC2COP(=S)(O)O)N3C=CC4=C(N=CN=C43)N)N5C6=NC(=NC(=O)C6=NN5)N

DOS

IR

Vibrations