Geometry & MOs

Info

ID:	309118
PubChem CID:	126537831
Reduced:	FSN2O2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	4.49
IP(EA), eV:	-8.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxy-1,3-benzothiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C[C@@H](CC2)N(C)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C41

DOS

IR

Vibrations