Geometry & MOs

Info

ID:

86655

PubChem CID:

49888292

Reduced:

SN2Cl3O3H25C28 (1)

Stoich.:

AB2C3D3E25F28 (1)

Weight, g/mol:

563.072485

ΔHf, kcal/mol:

-76.8

Dipole, Da:

8.14

IP(EA), eV:

 -8.46(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations