Geometry & MOs

Info

ID:

184312

PubChem CID:

77144802

Reduced:

SO2F3N6H25C27 (1)

Stoich.:

AB2C3D6E25F27 (1)

Weight, g/mol:

554.17118

ΔHf, kcal/mol:

-132.34

Dipole, Da:

1.18

IP(EA), eV:

 -9.11(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[4-[[[2-[4-(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=CC(=CC=C3)C(F)(F)F)C4=NC=CC(=N4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations