Geometry & MOs

Info

ID:

88209

PubChem CID:

49902293

Reduced:

BrSCl2N3O3H14C23 (1)

Stoich.:

ABC2D3E3F14G23 (1)

Weight, g/mol:

526.9706

ΔHf, kcal/mol:

2.83

Dipole, Da:

6.96

IP(EA), eV:

 -9.07(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C/C(=N/NC4=C(C=C(C=C4)Cl)Cl)/C=CC3=O)/SC2=O)Br

DOS

IR

Vibrations