Geometry & MOs

Info

ID:	177817
PubChem CID:	76234926
Reduced:	FO4N6C23H27 (1)
Stoich.:	AB4C6D23E27 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	3.63
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-[3-(2-methoxyethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(N(N=C3C)C4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations