Geometry & MOs

Info

ID:

87788

PubChem CID:

49897359

Reduced:

BrSF3N3O6H15C25 (1)

Stoich.:

ABC3D3E6F15G25 (1)

Weight, g/mol:

470.151158

ΔHf, kcal/mol:

-223.87

Dipole, Da:

4.34

IP(EA), eV:

 -8.96(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])Br)/SC2=O

DOS

IR

Vibrations