Geometry & MOs

Info

ID:

88441

PubChem CID:

49903545

Reduced:

NSBr2Cl2O3H15C24 (1)

Stoich.:

ABC2D2E3F15G24 (1)

Weight, g/mol:

648.94194

ΔHf, kcal/mol:

-47.05

Dipole, Da:

3.48

IP(EA), eV:

 -9.32(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations