Geometry & MOs

Info

ID:	272638
PubChem CID:	103750645
Reduced:	BrFOSN2H14C15 (1)
Stoich.:	ABCDE2F14G15 (1)
Weight, g/mol:	284.9913
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	2.99
IP(EA), eV:	-9.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-fluoroanilino)-N-(cyanomethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CNC3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations