Geometry & MOs

Info

ID:

88351

PubChem CID:

49903021

Reduced:

BrClNSO5H19C26 (1)

Stoich.:

ABCDE5F19G26 (1)

Weight, g/mol:

497.086385

ΔHf, kcal/mol:

-114.06

Dipole, Da:

4.2

IP(EA), eV:

 -9.39(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations