Geometry & MOs

Info

ID:	142356
PubChem CID:	53021013
Reduced:	S2N4O4C21H22 (1)
Stoich.:	A2B4C4D21E22 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	8.23
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations