Geometry & MOs

Info

ID:	155636
PubChem CID:	56366499
Reduced:	S2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	2.71
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations