Geometry & MOs

Info

ID:	219387
PubChem CID:	85148347
Reduced:	SN2O3C10H11 (2)
Stoich.:	AB2C3D10E11 (2)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	11.74
IP(EA), eV:	-9.1(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methoxyquinolin-4-yl)-3-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]propyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)NC1=C(C=C(C=C1C)[N+](=O)[O-])SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)N

DOS

IR

Vibrations