Geometry & MOs

Info

ID:

87501

PubChem CID:

49895087

Reduced:

SCl2N2O5H22C27 (1)

Stoich.:

AB2C2D5E22F27 (1)

Weight, g/mol:

565.10348

ΔHf, kcal/mol:

-132.46

Dipole, Da:

4.33

IP(EA), eV:

 -9.01(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-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=CC(=C(C(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)OC)/SC2=O

DOS

IR

Vibrations