Geometry & MOs

Info

ID:	372429
PubChem CID:	131297497
Reduced:	BrO2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	266.96434
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	4.78
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CSC2=C1C(=C(C=C2)Br)CC(=O)O

DOS

IR

Vibrations