Geometry & MOs

Info

ID:	385151
PubChem CID:	134978409
Reduced:	BrPN2O6C10H20 (1)
Stoich.:	ABC2D6E10F20 (1)
Weight, g/mol:	600.76809
ΔH_f, kcal/mol:	-255.25
Dipole, Da:	4.92
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC(O1)(COP(=O)(C)N(C)CCBr)[N+](=O)[O-])C

DOS

IR

Vibrations