Geometry & MOs

Info

ID:	369697
PubChem CID:	127335037
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-191.84
Dipole, Da:	4.76
IP(EA), eV:	-9.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations