Geometry & MOs

Info

ID:	38979
PubChem CID:	8138283
Reduced:	BrF2N3O3H12C15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	2.16
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)/C=C/C2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations