Geometry & MOs

Info

ID:	389784
PubChem CID:	134995216
Reduced:	PWH6O7C8 (1)
Stoich.:	ABC6D7E8 (1)
Weight, g/mol:	494.93037
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.141997
Charge, e:	-4

Chem-info

IUPAC name:

[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

CCOC(=O)P=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations