Geometry & MOs

Info

ID:

87926

PubChem CID:

49898672

Reduced:

ClNSO5H20C29 (1)

Stoich.:

ABCD5E20F29 (1)

Weight, g/mol:

526.091805

ΔHf, kcal/mol:

-95.07

Dipole, Da:

5.19

IP(EA), eV:

 -8.81(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations