Geometry & MOs

Info

ID:	187002
PubChem CID:	77515316
Reduced:	SN3O7C16H17 (1)
Stoich.:	AB3C7D16E17 (1)
Weight, g/mol:	569.143045
ΔH_f, kcal/mol:	-214.61
Dipole, Da:	1.29
IP(EA), eV:	-9.96(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[2,3-b][1,4]thiazin-2-one;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)N(CCO)CCO)C3C(=CN=C3C(=O)N2)C(=O)O

DOS

IR

Vibrations