Geometry & MOs

Info

ID:	289746
PubChem CID:	104372623
Reduced:	ClSN2O2C14H21 (1)
Stoich.:	ABC2D2E14F21 (1)
Weight, g/mol:	252.013555
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	1.55
IP(EA), eV:	-8.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-fluoro-3-(3-methylsulfanylpropyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CN1C(=O)C(=C(NC1=O)Cl)C2CCCC2)CSC

DOS

IR

Vibrations