Geometry & MOs

Info

ID:	441603
PubChem CID:	135236906
Reduced:	ClFS2N4O6H20C21 (1)
Stoich.:	ABC2D4E6F20G21 (1)
Weight, g/mol:	660.073789
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	4.96
IP(EA), eV:	-8.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-1-(2-oxodithiolan-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CSS(=O)(=O)C1C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC(CO)O

DOS

IR

Vibrations