Geometry & MOs

Info

ID:	245356
PubChem CID:	99443819
Reduced:	BrFSN2O3C17H18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	406.06922
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	3.98
IP(EA), eV:	-9.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC

DOS

IR

Vibrations