Geometry & MOs

Info

ID:	68025
PubChem CID:	46507622
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	555.091865
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	3.9
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C\2CC3=C(C(=CC=C3)OC)O/C2=N\O)C

DOS

IR

Vibrations