Geometry & MOs

Info

ID:

87924

PubChem CID:

49898652

Reduced:

SN3O8H19C28 (1)

Stoich.:

AB3C8D19E28 (1)

Weight, g/mol:

513.141008

ΔHf, kcal/mol:

-48.01

Dipole, Da:

8.38

IP(EA), eV:

 -9.12(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations