Geometry & MOs

Info

ID:	61279
PubChem CID:	26707938
Reduced:	FSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	470.108248
ΔH_f, kcal/mol:	-129.24
Dipole, Da:	12.21
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations