Geometry & MOs

Info

ID:	223449
PubChem CID:	85335058
Reduced:	ClFNOC21H23 (1)
Stoich.:	ABCDE21F23 (1)
Weight, g/mol:	362.073656
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	3.34
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)F)COC4=CC(=CC=C4)Cl

DOS

IR

Vibrations