Geometry & MOs

Info

ID:	268029
PubChem CID:	103597330
Reduced:	FO2N3S3H18C22 (1)
Stoich.:	AB2C3D3E18F22 (1)
Weight, g/mol:	341.075346
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	6.97
IP(EA), eV:	-8.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-(2-pyrrolidin-1-ylpyridin-4-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C2=CSC(=N2)C3=CC(=NC=C3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations