Geometry & MOs

Info

ID:

87842

PubChem CID:

49897873

Reduced:

FN2S2O7H19C25 (1)

Stoich.:

AB2C2D7E19F25 (1)

Weight, g/mol:

486.116877

ΔHf, kcal/mol:

-225.67

Dipole, Da:

1.5

IP(EA), eV:

 -9.03(-1.1)

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-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations