Geometry & MOs

Info

ID:	214420
PubChem CID:	84982011
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	409.126912
ΔH_f, kcal/mol:	-132.36
Dipole, Da:	3.95
IP(EA), eV:	-6.02(-0.73)
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]-4-phenyltetrazole-5-thione

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)CN3C(=O)C4CC=CCC4C3=O

DOS

IR

Vibrations