Geometry & MOs

Info

ID:	129000
PubChem CID:	51065834
Reduced:	BrSN3O3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	360.130777
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	3.58
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C(=N1)C(=O)NCC(=O)OC)Br

DOS

IR

Vibrations