Geometry & MOs

Info

ID:	147030
PubChem CID:	53785926
Reduced:	ClFOSN3C24H29 (1)
Stoich.:	ABCDE3F24G29 (1)
Weight, g/mol:	248.046693
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	4.74
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-ethylsulfonyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)CCCCOC2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4CS3

DOS

IR

Vibrations