Geometry & MOs

Info

ID:	29163
PubChem CID:	832081
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	298.017891
ΔH_f, kcal/mol:	-203.39
Dipole, Da:	5.5
IP(EA), eV:	-9.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations