Geometry & MOs

Info

ID:	147716
PubChem CID:	53787373
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	347.9932
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	6.43
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-bromoethoxy)-4-methyl-2-pyridin-2-yl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=C(C=C3)C)O

DOS

IR

Vibrations