Geometry & MOs

Info

ID:

226133

PubChem CID:

87325864

Reduced:

ClF3S3N5O6C49H57 (1)

Stoich.:

AB3C3D5E6F49G57 (1)

Weight, g/mol:

410.152495

ΔHf, kcal/mol:

-293.97

Dipole, Da:

12.0

IP(EA), eV:

 -8.62(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[2-[4-[(pyridin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN(C5CC5)C6CCOCC6)CSC7=CC=CC=C7)S(=O)(=O)C(F)(F)F)C8=CC=C(C=C8)Cl

DOS

IR

Vibrations