Geometry & MOs

Info

ID:	10256
PubChem CID:	99529
Reduced:	SN2O5C9H12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	260.046693
ΔH_f, kcal/mol:	-213.81
Dipole, Da:	4.52
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations