Geometry & MOs

Info

ID:	373845
PubChem CID:	131320596
Reduced:	ClNO2S2F3H5C9 (1)
Stoich.:	ABC2D2E3F5G9 (1)
Weight, g/mol:	226.004828
ΔH_f, kcal/mol:	-191.37
Dipole, Da:	3.94
IP(EA), eV:	-10.17(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(carboxymethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1S(=O)(=O)Cl)SC(F)(F)F)C#N

DOS

IR

Vibrations