Geometry & MOs

Info

ID:	237018
PubChem CID:	92716920
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-138.38
Dipole, Da:	5.06
IP(EA), eV:	-8.5(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H](N(C(=O)CC2=C1)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)OCC

DOS

IR

Vibrations