Geometry & MOs

Info

ID:

87937

PubChem CID:

49898850

Reduced:

ClSN2O2H23C31 (1)

Stoich.:

ABC2D2E23F31 (1)

Weight, g/mol:

640.983

ΔHf, kcal/mol:

20.2

Dipole, Da:

5.03

IP(EA), eV:

 -8.63(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)/C=C\4/C(=O)N(C(=O)S4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations