Geometry & MOs

Info

ID:

86849

PubChem CID:

49889669

Reduced:

FNSO6H20C26 (1)

Stoich.:

ABCD6E20F26 (1)

Weight, g/mol:

541.03587

ΔHf, kcal/mol:

-192.7

Dipole, Da:

7.29

IP(EA), eV:

 -8.92(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations