Geometry & MOs

Info

ID:	15890
PubChem CID:	454521
Reduced:	ClSN3O3C8H10 (1)
Stoich.:	ABC3D3E8F10 (1)
Weight, g/mol:	263.01314
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	4.76
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations