Geometry & MOs

Info

ID:

124065

PubChem CID:

50871741

Reduced:

S2N6O6C29H30 (1)

Stoich.:

A2B6C6D29E30 (1)

Weight, g/mol:

545.987769

ΔHf, kcal/mol:

-78.56

Dipole, Da:

2.34

IP(EA), eV:

 -8.97(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6)OC)/SC2=S

DOS

IR

Vibrations