Geometry & MOs

Info

ID:	138600
PubChem CID:	52392217
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	396.232088
ΔH_f, kcal/mol:	-112.27
Dipole, Da:	6.63
IP(EA), eV:	-8.76(0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H](CNS(=O)(=O)N2CCCCCC2)N3CCCCC3

DOS

IR

Vibrations