Geometry & MOs

Info

ID:	41049
PubChem CID:	8145172
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	3.81
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=CC=CC=C4OC3=S

DOS

IR

Vibrations