Geometry & MOs

Info

ID:	141140
PubChem CID:	52824856
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-131.85
Dipole, Da:	7.48
IP(EA), eV:	-8.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-(3-cyanophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations