Geometry & MOs

Info

ID:	180659
PubChem CID:	76665424
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	552.195503
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	8.38
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[4-(4-ethoxypiperidin-1-yl)-3-fluoroanilino]-8-oxo-8aH-2,7-naphthyridin-3-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC2C3C(CCNC3=O)CC(N2)C4=CN=C(C=C4)F

DOS

IR

Vibrations