Geometry & MOs

Info

ID:

88495

PubChem CID:

49903863

Reduced:

SBr2N2F3O5H13C24 (1)

Stoich.:

AB2C2D3E5F13G24 (1)

Weight, g/mol:

642.98506

ΔHf, kcal/mol:

-181.95

Dipole, Da:

7.36

IP(EA), eV:

 -9.76(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)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)Br

DOS

IR

Vibrations