Geometry & MOs

Info

ID:	60727
PubChem CID:	26697518
Reduced:	SN2O3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	404.213364
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	3.11
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H](CC(C1)(C)C)N(C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations