Geometry & MOs

Info

ID:

86824

PubChem CID:

49889542

Reduced:

SN2Cl3O4H17C25 (1)

Stoich.:

AB2C3D4E17F25 (1)

Weight, g/mol:

504.023282

ΔHf, kcal/mol:

-93.53

Dipole, Da:

4.67

IP(EA), eV:

 -9.17(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations