Geometry & MOs

Info

ID:

87203

PubChem CID:

49893056

Reduced:

NSBr2Cl3O3H14C24 (1)

Stoich.:

ABC2D3E3F14G24 (1)

Weight, g/mol:

640.983

ΔHf, kcal/mol:

-46.71

Dipole, Da:

4.8

IP(EA), eV:

 -9.39(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br)Cl

DOS

IR

Vibrations