Geometry & MOs

Info

ID:	246917
PubChem CID:	103065574
Reduced:	BrClSN2O2H12C14 (1)
Stoich.:	ABCD2E2F12G14 (1)
Weight, g/mol:	232.007326
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	4.96
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CSCC1N2C(=O)C(=C(NC2=O)Cl)C3=CC=CC=C3Br

DOS

IR

Vibrations