Geometry & MOs

Info

ID:	49159
PubChem CID:	11528773
Reduced:	PO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	234.009913
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	4.06
IP(EA), eV:	-9.57(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C/C=C/[P@]1(=O)C=C[C@@H](CO1)C2=CC=CC=C2

DOS

IR

Vibrations