Geometry & MOs

Info

ID:	80560
PubChem CID:	49835125
Reduced:	ON8C21H24 (1)
Stoich.:	AB8C21D24 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	97.9
Dipole, Da:	3.06
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-tert-butyl-2-methoxy-8-(2-oxo-1H-pyridin-3-yl)quinolin-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)NC2=NNC(=C2)C3=CC=CO3)NCC4=CC=CC=C4

DOS

IR

Vibrations