Geometry & MOs

Info

ID:	314113
PubChem CID:	126620471
Reduced:	F3C30H31 (1)
Stoich.:	A3B30C31 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	1.66
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)amino]heptanoic acid

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(C(C3=CC=C(C=C3)CC/C=C/C)F)F)F

DOS

IR

Vibrations