Geometry & MOs

Info

ID:	60726
PubChem CID:	26697515
Reduced:	BrSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	404.213364
ΔH_f, kcal/mol:	-122.97
Dipole, Da:	2.99
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCC3)Br

DOS

IR

Vibrations