Geometry & MOs

Info

ID:	154967
PubChem CID:	56314524
Reduced:	OF3N3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	458.161032
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	6.58
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CCC3=C(C=CC=C3F)F

DOS

IR

Vibrations