Geometry & MOs

Info

ID:	182831
PubChem CID:	76942431
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	238.057612
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	6.47
IP(EA), eV:	-8.98(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC(=O)NCC1S(=O)(=O)NCCCOC2=CC=CC=C2

DOS

IR

Vibrations