Geometry & MOs

Info

ID:

83413

PubChem CID:

49857563

Reduced:

N8O8C35H40 (1)

Stoich.:

A8B8C35D40 (1)

Weight, g/mol:

357.12574

ΔHf, kcal/mol:

-230.81

Dipole, Da:

4.6

IP(EA), eV:

 -8.73(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-5-deuterio-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=NO5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations