Geometry & MOs

Info

ID:	171625
PubChem CID:	75407640
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	2.09
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-tert-butyl-1,3-thiazol-5-yl)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=NC=C2)OC3CCOCC3

DOS

IR

Vibrations