Geometry & MOs

Info

ID:	10398
PubChem CID:	101431
Reduced:	SN2O4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	244.051778
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	5.68
IP(EA), eV:	-9.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylpyrimidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)S)CO)O

DOS

IR

Vibrations