Geometry & MOs

Info

ID:

88003

PubChem CID:

49899609

Reduced:

Cl2N2S2O7H20C26 (1)

Stoich.:

A2B2C2D7E20F26 (1)

Weight, g/mol:

525.96571

ΔHf, kcal/mol:

-212.22

Dipole, Da:

10.9

IP(EA), eV:

 -8.83(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=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)Cl)Cl)OC

DOS

IR

Vibrations