Geometry & MOs

Info

ID:	184309
PubChem CID:	77144799
Reduced:	FO2S2N6H23C24 (1)
Stoich.:	AB2C2D6E23F24 (1)
Weight, g/mol:	492.140216
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	4.43
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-[[(2-thiophen-3-ylpyridin-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC2=C(C=CC(=N2)C3=CSC=C3)F)C4=NC=CC(=N4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations