Geometry & MOs

Info

ID:	16881
PubChem CID:	478404
Reduced:	ClSN2O2C26H37 (1)
Stoich.:	ABC2D2E26F37 (1)
Weight, g/mol:	476.226427
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	6.05
IP(EA), eV:	-8.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-(4-tert-butylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)CC[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations