Geometry & MOs

Info

ID:

171253

PubChem CID:

75349888

Reduced:

SN3O7H21C28 (1)

Stoich.:

AB3C7D21E28 (1)

Weight, g/mol:

669.04822

ΔHf, kcal/mol:

-71.91

Dipole, Da:

5.54

IP(EA), eV:

 -8.6(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC4=CC=CC=C43)OC5=NC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations