Geometry & MOs

Info

ID:	142354
PubChem CID:	53021011
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	6.31
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethylanilino)-8-methoxyquinolin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)OC)C(=O)N4CCSCC4

DOS

IR

Vibrations