Geometry & MOs

Info

ID:

86825

PubChem CID:

49889545

Reduced:

SN2O2Cl3H19C24 (1)

Stoich.:

AB2C2D3E19F24 (1)

Weight, g/mol:

578.083384

ΔHf, kcal/mol:

-45.64

Dipole, Da:

8.57

IP(EA), eV:

 -8.66(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)C)Cl

DOS

IR

Vibrations