Geometry & MOs

Info

ID:	434475
PubChem CID:	135175020
Reduced:	P2S2O9N10C20H28 (1)
Stoich.:	A2B2C9D10E20F28 (1)
Weight, g/mol:	399.057783
ΔH_f, kcal/mol:	-381.09
Dipole, Da:	11.54
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[1-(1-dihydroxyphosphinothioyloxy-3-fluoropropan-2-yl)oxy-3-fluoropropyl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O[C@H]2CC(OC2COP(=S)(O)O)N3C=CC4=C(N=CN=C43)N)N5C6=C(C(=O)N=C(N6)N)NN5

DOS

IR

Vibrations