Geometry & MOs

Info

ID:	384061
PubChem CID:	134976279
Reduced:	OPN2S2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	466.92169
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	5.12
IP(EA), eV:	-9.03(-0.28)
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-trichloroacetyl) phosphate

Drug info:

PubChemData

Smile

CC1CN=C(S1)N(C2=CC=CC=C2)P(=S)(C)OC3=CC=CC=C3

DOS

IR

Vibrations