Geometry & MOs

Info

ID:	267441
PubChem CID:	103582231
Reduced:	BrClSN3C11H15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	320.97021
ΔH_f, kcal/mol:	27.88
Dipole, Da:	3.98
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-chloropyridin-2-yl)-methylamino]butanethioamide

Drug info:

PubChemData

Smile

CCN(CC(C)C(=S)N)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations