Geometry & MOs

Info

ID:	122773
PubChem CID:	50820981
Reduced:	FO2N5H22C26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	440.22574
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	5.3
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NC(=N3)C(=O)NCC4=CC=CC=C4C)C(=O)N2CC5=CC(=CC=C5)F

DOS

IR

Vibrations