Geometry & MOs

Info

ID:

87202

PubChem CID:

49893055

Reduced:

ClISN2O5H22C27 (1)

Stoich.:

ABCD2E5F22G27 (1)

Weight, g/mol:

660.81062

ΔHf, kcal/mol:

-107.97

Dipole, Da:

2.93

IP(EA), eV:

 -8.8(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)OC

DOS

IR

Vibrations