Geometry & MOs

Info

ID:	143243
PubChem CID:	53171130
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	5.53
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)CN(C3)C4CC4

DOS

IR

Vibrations