Geometry & MOs

Info

ID:	243674
PubChem CID:	99233830
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-205.07
Dipole, Da:	3.72
IP(EA), eV:	-9.45(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C1)CNC(=O)OC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations