Geometry & MOs

Info

ID:

88030

PubChem CID:

49900033

Reduced:

ClSN2O4H23C30 (1)

Stoich.:

ABC2D4E23F30 (1)

Weight, g/mol:

660.81062

ΔHf, kcal/mol:

-73.85

Dipole, Da:

4.62

IP(EA), eV:

 -8.96(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)Cl

DOS

IR

Vibrations