Geometry & MOs

Info

ID:

124153

PubChem CID:

50873529

Reduced:

N2S2F3O5H13C22 (1)

Stoich.:

A2B2C3D5E13F22 (1)

Weight, g/mol:

508.08909

ΔHf, kcal/mol:

-154.01

Dipole, Da:

7.9

IP(EA), eV:

 -8.98(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations