Geometry & MOs

Info

ID:	80504
PubChem CID:	49834812
Reduced:	SO2F3N3H14C15 (1)
Stoich.:	AB2C3D3E14F15 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-174.56
Dipole, Da:	5.6
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=C(S2)C(=O)N3CCC(=O)CC3)C(F)(F)F

DOS

IR

Vibrations