Geometry & MOs

Info

ID:	143097
PubChem CID:	53145483
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	432.082303
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	5.33
IP(EA), eV:	-8.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC3=CN(C4=C3C=CC=N4)C

DOS

IR

Vibrations