Geometry & MOs

Info

ID:

87730

PubChem CID:

49896855

Reduced:

ClSN2O7H21C24 (1)

Stoich.:

ABC2D7E21F24 (1)

Weight, g/mol:

517.06709

ΔHf, kcal/mol:

-220.26

Dipole, Da:

3.21

IP(EA), eV:

 -9.26(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)Cl

DOS

IR

Vibrations