Geometry & MOs

Info

ID:	38968
PubChem CID:	8138263
Reduced:	FSN3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	-42.93
Dipole, Da:	1.41
IP(EA), eV:	-9.5(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations