Geometry & MOs

Info

ID:

161709

PubChem CID:

57392399

Reduced:

S2N3O3H27C29 (1)

Stoich.:

A2B3C3D27E29 (1)

Weight, g/mol:

509.198442

ΔHf, kcal/mol:

-28.98

Dipole, Da:

5.73

IP(EA), eV:

 -8.93(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxo-1-(2-propylanilino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)/C=C\4/C(=O)NC(=S)S4

DOS

IR

Vibrations