Geometry & MOs

Info

ID:

88213

PubChem CID:

49902302

Reduced:

BrIN2S2O8H16C24 (1)

Stoich.:

ABC2D2E8F16G24 (1)

Weight, g/mol:

539.04021

ΔHf, kcal/mol:

-122.34

Dipole, Da:

2.21

IP(EA), eV:

 -9.36(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations