Geometry & MOs

Info

ID:

87829

PubChem CID:

49897767

Reduced:

NSCl2O5H19C29 (1)

Stoich.:

ABC2D5E19F29 (1)

Weight, g/mol:

642.90422

ΔHf, kcal/mol:

-101.21

Dipole, Da:

5.37

IP(EA), eV:

 -8.87(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3,5-dibromo-4-[(2-chlorophenyl)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=CC=CC4=CC=CC=C43)Cl)OC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations