Geometry & MOs

Info

ID:	289748
PubChem CID:	104372706
Reduced:	ClFSN2O2C14H14 (1)
Stoich.:	ABCD2E2F14G14 (1)
Weight, g/mol:	289.008804
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	2.15
IP(EA), eV:	-8.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CSCCCN1C(=O)C(=C(NC1=O)Cl)C2=CC(=CC=C2)F

DOS

IR

Vibrations