Geometry & MOs

Info

ID:

124081

PubChem CID:

50872035

Reduced:

N2S2F3O5H17C25 (1)

Stoich.:

A2B2C3D5E17F25 (1)

Weight, g/mol:

537.066442

ΔHf, kcal/mol:

-160.15

Dipole, Da:

7.55

IP(EA), eV:

 -8.92(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations