Geometry & MOs

Info

ID:	242900
PubChem CID:	99213808
Reduced:	FSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	1.3
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCC2=CC=CC=C2C1)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCC4

DOS

IR

Vibrations