Geometry & MOs

Info

ID:	155249
PubChem CID:	56323580
Reduced:	OF2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	471.0019
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	4.99
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)NC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations