Geometry & MOs

Info

ID:	76854
PubChem CID:	48425485
Reduced:	BrO2S2N3C14H16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	310.169271
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	1.41
IP(EA), eV:	-9.37(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(2-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CSC(=N1)C2=CC(=CS2)Br

DOS

IR

Vibrations