Geometry & MOs

Info

ID:	85582
PubChem CID:	49877244
Reduced:	ClON2F4C18H22 (1)
Stoich.:	ABC2D4E18F22 (1)
Weight, g/mol:	196.019903
ΔH_f, kcal/mol:	-162.99
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032759
Charge, e:	-1

Chem-info

IUPAC name:

2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C(=C(C(=C2F)F)/C=C/CN3CCOCC3)F)F.[Cl-]

DOS

IR

Vibrations