Geometry & MOs

Info

ID:

87854

PubChem CID:

49897997

Reduced:

SCl2N2O4H20C27 (1)

Stoich.:

AB2C2D4E20F27 (1)

Weight, g/mol:

595.044556

ΔHf, kcal/mol:

-58.45

Dipole, Da:

6.16

IP(EA), eV:

 -8.88(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[3-methoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations