Geometry & MOs

Info

ID:	289734
PubChem CID:	104371515
Reduced:	ClF2N2O2H5C10 (1)
Stoich.:	AB2C2D2E5F10 (1)
Weight, g/mol:	303.984004
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	4.03
IP(EA), eV:	-10.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)N2C(=O)C=C(NC2=O)Cl

DOS

IR

Vibrations