Geometry & MOs

Info

ID:	317647
PubChem CID:	126644795
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-3.96
Dipole, Da:	3.69
IP(EA), eV:	-8.65(-0.38)
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-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(COCC1=CC=CC=C1)NC(=O)C2=C(N=CC(=C2)C3=CN(N=C3)C)N

DOS

IR

Vibrations