Geometry & MOs

Info

ID:	441594
PubChem CID:	135236605
Reduced:	FN3O6C27H34 (1)
Stoich.:	AB3C6D27E34 (1)
Weight, g/mol:	518.064939
ΔH_f, kcal/mol:	-286.09
Dipole, Da:	2.51
IP(EA), eV:	-9.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-2-(2-oxodithiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)C(COC2=CC=CC(=C2)C=O)NC(=O)C(C(C)O)NC(=O)C(C)(C)C)F

DOS

IR

Vibrations