Geometry & MOs

Info

ID:	123008
PubChem CID:	50830098
Reduced:	BrOSN4C17H19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	8.73
Dipole, Da:	1.99
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1C2=NC=CC(=C2)CNC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations