Geometry & MOs

Info

ID:	156050
PubChem CID:	56368929
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	7.89
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(2-chlorophenoxy)propanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3CC(=O)N(C3)C(C)C

DOS

IR

Vibrations