Geometry & MOs

Info

ID:	246914
PubChem CID:	103065556
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	246.022976
ΔH_f, kcal/mol:	-149.3
Dipole, Da:	3.09
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)NC(=O)N(C2=O)C3CCSC3

DOS

IR

Vibrations