Geometry & MOs

Info

ID:	317611
PubChem CID:	126644331
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	360.069927
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	0.97
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations