Geometry & MOs

Info

ID:	80577
PubChem CID:	49835242
Reduced:	ClSN4O4C25H25 (1)
Stoich.:	ABC4D4E25F25 (1)
Weight, g/mol:	465.152241
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	4.03
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-tert-butyl-8-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(C=N2)C3=C(C=C(C=C3)NS(=O)(=O)C)Cl)C4=CC=C(NC4=O)OC

DOS

IR

Vibrations