Geometry & MOs

Info

ID:	339316
PubChem CID:	127261150
Reduced:	ClOSN2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	276.000275
ΔH_f, kcal/mol:	20.58
Dipole, Da:	3.21
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1Z)-N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanimidothioate

Drug info:

PubChemData

Smile

C/C(=N\OCC1=CN=C(C=C1)Cl)/SC

DOS

IR

Vibrations