Geometry & MOs

Info

ID:	80585
PubChem CID:	49835305
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	1.88
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)quinolin-3-yl]-[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(C(=C1)C3=CC=CNC3=O)N=CC=C2)OC

DOS

IR

Vibrations