Geometry & MOs

Info

ID:	68026
PubChem CID:	46507623
Reduced:	ClFNSO6H23C28 (1)
Stoich.:	ABCDE6F23G28 (1)
Weight, g/mol:	555.091865
ΔH_f, kcal/mol:	-203.88
Dipole, Da:	6.51
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-[(2-methoxy-5-methoxycarbonylphenyl)methoxy]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)COC2=C(C(=NC3=CC=CC=C32)SCC4=C(C=C(C=C4)F)Cl)C(=O)OC

DOS

IR

Vibrations