Geometry & MOs

Info

ID:	246909
PubChem CID:	103065541
Reduced:	SN2O3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-104.21
Dipole, Da:	1.88
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations