Geometry & MOs

Info

ID:

88353

PubChem CID:

49903025

Reduced:

SN3O8H17C28 (1)

Stoich.:

AB3C8D17E28 (1)

Weight, g/mol:

525.160994

ΔHf, kcal/mol:

-49.14

Dipole, Da:

2.51

IP(EA), eV:

 -8.98(-2.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC=C(C=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations