Geometry & MOs

Info

ID:	153629
PubChem CID:	56312899
Reduced:	FNO4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	455.147904
ΔH_f, kcal/mol:	-169.86
Dipole, Da:	5.26
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C(=C(C=C1)OC)OC)OC)C2=CC=CC=C2F

DOS

IR

Vibrations