Geometry & MOs

Info

ID:

88455

PubChem CID:

49903600

Reduced:

BrSN3O7H16C24 (1)

Stoich.:

ABC3D7E16F24 (1)

Weight, g/mol:

524.04054

ΔHf, kcal/mol:

-33.63

Dipole, Da:

9.2

IP(EA), eV:

 -9.37(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4[N+](=O)[O-])/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations