Geometry & MOs

Info

ID:	228135
PubChem CID:	87563508
Reduced:	ClO3F6H17C21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	337.11365
ΔH_f, kcal/mol:	-399.82
Dipole, Da:	5.14
IP(EA), eV:	-9.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethylsulfanyl-2-methylphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CC1C[C@H](C2=CC(=C(C(=C2)OCC(F)(F)F)Cl)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations