Geometry & MOs

Info

ID:

88378

PubChem CID:

49903095

Reduced:

NS2Cl3O6H18C25 (1)

Stoich.:

AB2C3D6E18F25 (1)

Weight, g/mol:

540.98625

ΔHf, kcal/mol:

-174.25

Dipole, Da:

5.09

IP(EA), eV:

 -9.65(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[(3E)-3-[(3-chloro-4-methylphenyl)hydrazinylidene]-6-oxocyclohexa-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=C3)Cl)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations