Geometry & MOs

Info

ID:	169307
PubChem CID:	75087430
Reduced:	ON2F3C24H37 (1)
Stoich.:	AB2C3D24E37 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	-218.27
Dipole, Da:	3.35
IP(EA), eV:	-9.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-oxo-1-(4-propan-2-yloxyphenyl)-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NN=CC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations