Geometry & MOs

Info

ID:

88396

PubChem CID:

49903263

Reduced:

SBr2N2O6H20C26 (1)

Stoich.:

AB2C2D6E20F26 (1)

Weight, g/mol:

560.99696

ΔHf, kcal/mol:

-75.44

Dipole, Da:

6.68

IP(EA), eV:

 -9.25(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[(3E)-6-oxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]cyclohexa-1,4-dien-1-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations