Geometry & MOs

Info

ID:

86783

PubChem CID:

49889308

Reduced:

FINSCl2O4H17C25 (1)

Stoich.:

ABCDE2F4G17H25 (1)

Weight, g/mol:

619.00988

ΔHf, kcal/mol:

-112.85

Dipole, Da:

4.65

IP(EA), eV:

 -9.22(-1.54)

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-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations