Geometry & MOs

Info

ID:

87488

PubChem CID:

49894949

Reduced:

BrSN2O6H21C26 (1)

Stoich.:

ABC2D6E21F26 (1)

Weight, g/mol:

541.03587

ΔHf, kcal/mol:

-75.52

Dipole, Da:

3.44

IP(EA), eV:

 -9.13(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC4=CC=C(C=C4)[N+](=O)[O-])OC)/SC2=O

DOS

IR

Vibrations