Geometry & MOs

Info

ID:	153445
PubChem CID:	56312644
Reduced:	BrFSN2O4C21H24 (1)
Stoich.:	ABCD2E4F21G24 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-162.08
Dipole, Da:	5.86
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[1-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3F

DOS

IR

Vibrations