Geometry & MOs

Info

ID:	267439
PubChem CID:	103582226
Reduced:	BrClFN3H8C13 (1)
Stoich.:	ABCD3E8F13 (1)
Weight, g/mol:	368.97021
ΔH_f, kcal/mol:	37.63
Dipole, Da:	1.22
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(5-bromo-3-chloropyridin-2-yl)anilino)propanethioamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)F)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations