Geometry & MOs

Info

ID:	141442
PubChem CID:	52877871
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	438.275667
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	2.66
IP(EA), eV:	-9.04(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(3S)-1-benzylpiperidin-1-ium-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations