Geometry & MOs

Info

ID:	156209
PubChem CID:	56369562
Reduced:	N2S2O3C20H26 (1)
Stoich.:	A2B2C3D20E26 (1)
Weight, g/mol:	428.213364
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	6.59
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-(2-phenylpentanoyl)piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC3=CSC=C3

DOS

IR

Vibrations