Geometry & MOs

Info

ID:

87502

PubChem CID:

49895090

Reduced:

BrSN3O3C28H28 (1)

Stoich.:

ABC3D3E28F28 (1)

Weight, g/mol:

450.116877

ΔHf, kcal/mol:

-57.27

Dipole, Da:

7.38

IP(EA), eV:

 -8.6(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C=C4)N5CCOCC5)Br)C)/SC2=O

DOS

IR

Vibrations