Geometry & MOs

Info

ID:	441583
PubChem CID:	135236479
Reduced:	ClN6O6C30H39 (1)
Stoich.:	AB6C6D30E39 (1)
Weight, g/mol:	520.044203
ΔH_f, kcal/mol:	-176.83
Dipole, Da:	6.32
IP(EA), eV:	-9.48(-0.97)
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]-1,1-dioxodithiolane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(CCCCN(C)C(=O)C(=CC(C)C)C#N)C(=O)NCC2=CC=CC=C2Cl

DOS

IR

Vibrations