Geometry & MOs

Info

ID:	147544
PubChem CID:	53787200
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	478.065771
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	2.33
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=NC(=NC=C1SC)COC

DOS

IR

Vibrations