Geometry & MOs

Info

ID:	251798
PubChem CID:	103107036
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	330.0743
ΔH_f, kcal/mol:	9.58
Dipole, Da:	5.51
IP(EA), eV:	-9.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CSC(=N2)C)C3CC3

DOS

IR

Vibrations