Geometry & MOs

Info

ID:	15889
PubChem CID:	454512
Reduced:	ClSN2O4C8H9 (1)
Stoich.:	ABC2D4E8F9 (1)
Weight, g/mol:	263.997156
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	5.74
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)Cl

DOS

IR

Vibrations