Geometry & MOs

Info

ID:	183779
PubChem CID:	77069534
Reduced:	BrFSN2O3C11H12 (1)
Stoich.:	ABCD2E3F11G12 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	7.86
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CNCC(C1=O)S(=O)(=O)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations