Geometry & MOs

Info

ID:	317681
PubChem CID:	126644967
Reduced:	O2F3N5C37H40 (1)
Stoich.:	A2B3C5D37E40 (1)
Weight, g/mol:	347.038292
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	4.88
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CC=C(C=C6)C(F)(F)F)N

DOS

IR

Vibrations