Geometry & MOs

Info

ID:

184310

PubChem CID:

77144800

Reduced:

OSN3C12H12 (2)

Stoich.:

ABC3D12E12 (2)

Weight, g/mol:

554.17118

ΔHf, kcal/mol:

37.33

Dipole, Da:

3.37

IP(EA), eV:

 -9.06(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]pyridin-3-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC2=C(N=CC=C2)C3=CSC=C3)C4=NC=CC(=N4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations