Geometry & MOs

Info

ID:

124154

PubChem CID:

50873578

Reduced:

ON2S2F3H19C27 (1)

Stoich.:

AB2C2D3E19F27 (1)

Weight, g/mol:

541.99696

ΔHf, kcal/mol:

-71.48

Dipole, Da:

5.46

IP(EA), eV:

 -8.71(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)N(C(=S)S4)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations