Geometry & MOs

Info

ID:	328828
PubChem CID:	126728323
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	528.19436
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	3.71
IP(EA), eV:	-9.55(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-[[2-(1-benzofuran-2-yl)pyridin-3-yl]methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CCC(CC/C=C/C)OCC(=O)NCCN

DOS

IR

Vibrations