Geometry & MOs

Info

ID:

87667

PubChem CID:

49896410

Reduced:

BrNS2O5H20C25 (1)

Stoich.:

ABC2D5E20F25 (1)

Weight, g/mol:

497.086385

ΔHf, kcal/mol:

-126.2

Dipole, Da:

6.86

IP(EA), eV:

 -9.12(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C)/SC2=O

DOS

IR

Vibrations