Geometry & MOs

Info

ID:	16490
PubChem CID:	470865
Reduced:	SN3O4C8H11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	245.047027
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	3.27
IP(EA), eV:	-9.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[(2S,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)N

DOS

IR

Vibrations