Geometry & MOs

Info

ID:	29496
PubChem CID:	834438
Reduced:	OSCl2N3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	302.00474
ΔH_f, kcal/mol:	29.81
Dipole, Da:	4.93
IP(EA), eV:	-8.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

DOS

IR

Vibrations