Geometry & MOs

Info

ID:	154968
PubChem CID:	56314526
Reduced:	FOS2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	4.28
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CC3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations