Geometry & MOs

Info

ID:	156568
PubChem CID:	56371187
Reduced:	BrSN2O3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	3.45
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloro-5-methylsulfonylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC2=C(C=C1)N=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations