Geometry & MOs

Info

ID:	61098
PubChem CID:	26705670
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	475.217915
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	4.38
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-fluoro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCCN(C3=NC4=CC=CC=C4N=C32)C

DOS

IR

Vibrations