Geometry & MOs

Info

ID:

189836

PubChem CID:

77911308

Reduced:

OSCl2N7H21C25 (1)

Stoich.:

ABC2D7E21F25 (1)

Weight, g/mol:

527.122501

ΔHf, kcal/mol:

123.24

Dipole, Da:

3.37

IP(EA), eV:

 -8.61(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[4-[3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2SC=C3)NN=CC4=NC5=CC=CC=C5N4CC6=C(C(=CC=C6)Cl)Cl

DOS

IR

Vibrations