Geometry & MOs

Info

ID:

84953

PubChem CID:

49870908

Reduced:

O3N4C21H21 (2)

Stoich.:

A3B4C21D21 (2)

Weight, g/mol:

438.136176

ΔHf, kcal/mol:

-79.55

Dipole, Da:

2.97

IP(EA), eV:

 -8.53(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)N[C@H](C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC=C(N3)C#CC4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@@H](C7=CC=CC=C7)NC(=O)OC

DOS

IR

Vibrations