Geometry & MOs

Info

ID:	237643
PubChem CID:	92720122
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-224.13
Dipole, Da:	6.91
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O

DOS

IR

Vibrations