Geometry & MOs

Info

ID:	142357
PubChem CID:	53021014
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	457.12269
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	5.9
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloro-2-methoxy-5-methylanilino)-8-methoxyquinolin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC2=CC(=NC3=C2C=CC=C3OC)C(=O)N4CCSCC4

DOS

IR

Vibrations