Geometry & MOs

Info

ID:	429525
PubChem CID:	135169574
Reduced:	ClOF3N6H18C25 (1)
Stoich.:	ABC3D6E18F25 (1)
Weight, g/mol:	231.023311
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	7.6
IP(EA), eV:	-9.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(1-oxo-1,2-thiazolidin-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NC=NN1C2=C(C=C(C=C2)CCC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=NC=C5)C(F)(F)F)Cl

DOS

IR

Vibrations