Geometry & MOs

Info

ID:	140868
PubChem CID:	52774463
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	8.31
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN([C@@H](C)C(C)C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations