Geometry & MOs

Info

ID:	270007
PubChem CID:	103622013
Reduced:	OSF3N3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	265.067369
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	1.54
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-benzothiazol-6-ylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NCC(=O)NCC(F)(F)F)SC=N2

DOS

IR

Vibrations