Geometry & MOs

Info

ID:	57571
PubChem CID:	22425495
Reduced:	NSCl2F2O3H17C25 (1)
Stoich.:	ABC2D2E3F17G25 (1)
Weight, g/mol:	535.063205
ΔH_f, kcal/mol:	-129.38
Dipole, Da:	6.64
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations