Geometry & MOs

Info

ID:	385060
PubChem CID:	134978231
Reduced:	PS2N5O6C16H24 (1)
Stoich.:	AB2C5D6E16F24 (1)
Weight, g/mol:	399.976949
ΔH_f, kcal/mol:	-226.2
Dipole, Da:	3.91
IP(EA), eV:	-8.68(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dioxidophosphinothioyl phosphate

Drug info:

PubChemData

Smile

CCCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)([O-])[O-])O)O)N

DOS

IR

Vibrations