Geometry & MOs

Info

ID:	184114
PubChem CID:	77111683
Reduced:	BrON2S2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	311.146762
ΔH_f, kcal/mol:	38.52
Dipole, Da:	6.08
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)sulfanylmethyl]-6-(propylaminomethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCC2NC(=S)ON2)Br

DOS

IR

Vibrations