Geometry & MOs

Info

ID:

328870

PubChem CID:

126728444

Reduced:

FSO2N5C26H28 (1)

Stoich.:

ABC2D5E26F28 (1)

Weight, g/mol:

494.155866

ΔHf, kcal/mol:

-75.26

Dipole, Da:

1.52

IP(EA), eV:

 -9.04(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-2-hydroxy-5-[[2-[[4-[(6-thiophen-3-ylpyridin-2-yl)methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CC(CCC1CNCC2=CC3=C(C=C2)C=C(C=C3)F)NC4=NC=CC(=N4)CC5C(=O)NC(=O)S5

DOS

IR

Vibrations