Geometry & MOs

Info

ID:	267442
PubChem CID:	103582239
Reduced:	BrClSN3C10H13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	361.99676
ΔH_f, kcal/mol:	34.72
Dipole, Da:	4.4
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-3-chloropyridin-2-yl)piperazin-1-yl]propanethioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations