Geometry & MOs

Info

ID:

88238

PubChem CID:

49902502

Reduced:

BrNS2O6H20C25 (1)

Stoich.:

ABC2D6E20F25 (1)

Weight, g/mol:

572.910753

ΔHf, kcal/mol:

-149.83

Dipole, Da:

10.63

IP(EA), eV:

 -9.02(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations