Geometry & MOs

Info

ID:	339205
PubChem CID:	127260584
Reduced:	FO2Cl3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	261.064592
ΔH_f, kcal/mol:	-195.54
Dipole, Da:	3.01
IP(EA), eV:	-10.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1-thione

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)OC(C(Cl)(Cl)Cl)F

DOS

IR

Vibrations