Geometry & MOs

Info

ID:	61280
PubChem CID:	26707942
Reduced:	SN2O2C11H11 (2)
Stoich.:	AB2C2D11E11 (2)
Weight, g/mol:	436.00924
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	8.02
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations