Geometry & MOs

Info

ID:	57745
PubChem CID:	24276928
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	269.075346
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	5.71
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=S)N)N2CCOCC2

DOS

IR

Vibrations