Geometry & MOs

Info

ID:

87919

PubChem CID:

49898603

Reduced:

ClINS2O6H21C29 (1)

Stoich.:

ABCD2E6F21G29 (1)

Weight, g/mol:

625.022

ΔHf, kcal/mol:

-125.84

Dipole, Da:

5.99

IP(EA), eV:

 -8.24(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)I)OS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations