Geometry & MOs

Info

ID:	289747
PubChem CID:	104372697
Reduced:	ClFSN2O2C8H10 (1)
Stoich.:	ABCD2E2F8G10 (1)
Weight, g/mol:	328.044855
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	2.15
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCCN1C(=O)C(=C(NC1=O)Cl)F

DOS

IR

Vibrations