Geometry & MOs

Info

ID:	12291
PubChem CID:	134219
Reduced:	BrPN2O8C11H12 (1)
Stoich.:	ABC2D8E11F12 (1)
Weight, g/mol:	409.95146
ΔH_f, kcal/mol:	-370.46
Dipole, Da:	5.34
IP(EA), eV:	-9.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3S,5R)-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)COP(=O)([O-])[O-])O

DOS

IR

Vibrations