Geometry & MOs

Info

ID:	349516
PubChem CID:	127275403
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	4.44
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations