Geometry & MOs

Info

ID:	162073
PubChem CID:	57393522
Reduced:	ClNO3H16C23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	538.240248
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	5.1
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[2-[4-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]ethylamino]ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl)CC(=O)O

DOS

IR

Vibrations