Geometry & MOs

Info

ID:	434204
PubChem CID:	135174433
Reduced:	FP2S3N9O10C20H24 (1)
Stoich.:	AB2C3D9E10F20G24 (1)
Weight, g/mol:	358.050078
ΔH_f, kcal/mol:	-463.39
Dipole, Da:	17.09
IP(EA), eV:	-9.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(dihydroxyphosphinothioyloxymethyl)-3-oxabicyclo[4.1.0]heptan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@H](O[C@H](C1F)N2C=NC3=C2NC=NC3=O)COP(=O)(O[C@@H]4[C@@H]([C@H](S[C@H]4N5C=NC6=C5NC(=NC6=O)N)COP(=S)(O)O)O)S

DOS

IR

Vibrations