Geometry & MOs

Info

ID:	214422
PubChem CID:	84982015
Reduced:	SN3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	378.127623
ΔH_f, kcal/mol:	153.79
Dipole, Da:	2.28
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CN4C(=S)N(N=N4)C5=CC=CC=C5

DOS

IR

Vibrations