Geometry & MOs

Info

ID:	16491
PubChem CID:	470867
Reduced:	SN2O4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-172.35
Dipole, Da:	5.84
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN(C(=O)NC1=O)[C@H]2CS[C@H](O2)CO

DOS

IR

Vibrations