Geometry & MOs

Info

ID:

171231

PubChem CID:

75347132

Reduced:

INSO6H28C30 (1)

Stoich.:

ABCD6E28F30 (1)

Weight, g/mol:

583.15955

ΔHf, kcal/mol:

-146.64

Dipole, Da:

5.21

IP(EA), eV:

 -8.57(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4I)OC)SC2=O

DOS

IR

Vibrations