Geometry & MOs

Info

ID:	162516
PubChem CID:	57394919
Reduced:	FO2N3H26C28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	500.245727
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	3.66
IP(EA), eV:	-8.27(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](C2=CC=CC=C2N(C(=O)C1CC3=CN(C4=CC=CC=C43)C)C)C5=CC=CC=C5F

DOS

IR

Vibrations