Geometry & MOs

Info

ID:

86913

PubChem CID:

49889980

Reduced:

BrSCl2N2O5H25C29 (1)

Stoich.:

ABC2D2E5F25G29 (1)

Weight, g/mol:

527.02022

ΔHf, kcal/mol:

-145.45

Dipole, Da:

2.97

IP(EA), eV:

 -8.52(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Br)OCC(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations