Geometry & MOs

Info

ID:

88208

PubChem CID:

49902292

Reduced:

SCl2N2O4H20C26 (1)

Stoich.:

AB2C2D4E20F26 (1)

Weight, g/mol:

560.93163

ΔHf, kcal/mol:

-93.02

Dipole, Da:

5.19

IP(EA), eV:

 -9.22(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations