Geometry & MOs

Info

ID:	246910
PubChem CID:	103065545
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	367.98303
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	4.42
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(N(C(=O)NC2=O)C3CCSC3)O

DOS

IR

Vibrations