Geometry & MOs

Info

ID:	203597
PubChem CID:	79850137
Reduced:	BrSN2O2C14H23 (1)
Stoich.:	ABC2D2E14F23 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	5.67
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

Drug info:

PubChemData

Smile

CCC(C(C1=CC(=CC=C1)Br)N(C)CCS(=O)(=O)C)N

DOS

IR

Vibrations