Geometry & MOs

Info

ID:	372066
PubChem CID:	131292791
Reduced:	ClFNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	2.67
IP(EA), eV:	-10.56(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl(methyl)-lambda4-sulfanylidene]-1-methyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C(=C1)CCl)C#N)F

DOS

IR

Vibrations