Geometry & MOs

Info

ID:	38983
PubChem CID:	8138288
Reduced:	BrClN3O3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	1.2
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations