Geometry & MOs

Info

ID:	246916
PubChem CID:	103065572
Reduced:	SCl2N2O2H12C14 (1)
Stoich.:	AB2C2D2E12F14 (1)
Weight, g/mol:	385.94914
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	3.86
IP(EA), eV:	-8.71(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromophenyl)-6-chloro-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations