Geometry & MOs

Info

ID:

87433

PubChem CID:

49894598

Reduced:

BrSN2O2H15C20 (1)

Stoich.:

ABC2D2E15F20 (1)

Weight, g/mol:

463.07574

ΔHf, kcal/mol:

-9.36

Dipole, Da:

4.43

IP(EA), eV:

 -8.9(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[(3E)-3-[(2-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations