Geometry & MOs

Info

ID:	7545
PubChem CID:	73339
Reduced:	SN3O3C8H11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	229.052112
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	5.29
IP(EA), eV:	-9.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations