Geometry & MOs

Info

ID:	171385
PubChem CID:	75370371
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	5.96
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)OCCN3C(=C(C=N3)C#N)N

DOS

IR

Vibrations