Geometry & MOs

Info

ID:	57569
PubChem CID:	22425490
Reduced:	ClNSF3O3H19C26 (1)
Stoich.:	ABCD3E3F19G26 (1)
Weight, g/mol:	519.027426
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	4.72
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-chloro-6-fluorophenyl)methoxy]-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2N=C1SCC3=CC=CC=C3Cl)OCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations