Geometry & MOs

Info

ID:	229563
PubChem CID:	87568029
Reduced:	Cl2N2S2O3C21H22 (1)
Stoich.:	A2B2C2D3E21F22 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	3.83
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-2H-1,3-benzothiazol-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=C(N(N=C1COS(=O)(=O)C)C2=C(C=C(C=C2)Cl)Cl)C3=C(C=CS3)CCCC=C

DOS

IR

Vibrations