Geometry & MOs

Info

ID:	230056
PubChem CID:	87569974
Reduced:	BrClN2O4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	415.021597
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	3.33
IP(EA), eV:	-9.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)C2=CC=C(C=C2)C=C(Cl)Br

DOS

IR

Vibrations