Geometry & MOs

Info

ID:	57748
PubChem CID:	24276942
Reduced:	ClSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	269.075346
ΔH_f, kcal/mol:	21.44
Dipole, Da:	3.34
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-2-piperazin-1-ylethanethioamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2=CC(=CC=C2)Cl)C(=S)N

DOS

IR

Vibrations